data_2l3y_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2l3y _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.8 0.333 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 63.64 25.11 14.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -105.64 167.13 9.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.71 -34.88 40.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.3 p -68.74 -45.38 71.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -60.72 -51.37 69.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.1 m -61.17 -43.24 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.89 -52.22 53.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.67 -37.67 95.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.391 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.34 -34.76 78.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 110.971 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.5 mm -69.6 -49.22 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 t -63.37 -39.54 94.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -65.79 -55.65 16.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.2 p -60.22 -32.74 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.28 -48.96 68.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -62.06 -43.58 98.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.92 -47.85 84.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.6 mt -57.98 -46.49 87.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.6 t -57.94 -54.57 30.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -59.52 -44.7 93.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.5 ttt -63.76 -31.63 72.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -51.23 34.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.809 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.2 pttt -70.66 -28.21 64.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.77 -37.64 66.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mp -53.98 -32.16 53.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.0 m -95.93 32.23 1.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 t30 60.66 26.19 15.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.71 42.89 97.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -95.12 113.89 25.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.6 p -55.61 -27.09 47.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.39 -40.95 89.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.84 -38.8 92.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 65.3 mtp -58.98 -33.38 70.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -117.72 28.81 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -83.05 -62.17 1.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.56 28.84 5.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -96.36 31.91 2.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.78 -30.55 5.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.0 -38.8 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.05 -36.33 60.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.081 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -56.19 -26.25 50.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -124.45 38.91 4.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -155.71 32.28 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.7 141.69 28.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -79.94 -25.95 40.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mt -80.17 154.89 74.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.526 0.679 . . . . 0.0 110.949 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo . . . . . 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.343 179.862 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.733 0.302 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.3 mt -111.65 -31.07 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 41.6 m -59.97 -41.34 91.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.7 t -60.45 -51.96 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.41 -52.65 50.42 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.26 -34.24 77.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.2 tp -65.03 -49.32 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.973 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -62.01 -52.16 65.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -56.02 -44.6 78.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -61.62 -41.93 98.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.7 -29.04 67.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -72.37 -54.42 9.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.2 pp -61.91 -43.41 98.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -67.44 -32.9 74.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -66.87 -51.27 57.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.2 ptt? -73.25 -26.03 60.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.818 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -55.91 -41.29 74.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -59.7 -37.65 79.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -109.7 74.24 0.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.7 mt -142.02 177.97 7.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.961 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -78.17 -175.94 4.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.24 -51.28 66.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -69.37 -48.49 61.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -55.87 -39.41 71.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.795 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -69.08 -45.2 70.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.45 -49.91 71.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -38.6 71.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.74 -44.74 73.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.183 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.49 -49.85 71.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.61 -41.13 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.8 mp -58.62 -50.07 75.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.06 -47.76 84.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -53.85 -53.28 54.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.35 -49.39 74.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.8 m -54.06 -50.42 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.14 -33.65 73.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 15.2 m -64.73 -56.4 13.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -32.2 72.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 63.4 mt -71.39 -36.96 63.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -44.54 68.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.871 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 6.5 mt -66.65 -47.49 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -62.82 -50.03 72.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -59.94 -40.86 90.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -63.0 -47.53 82.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.25 -52.28 66.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.9 p -65.67 -29.13 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.07 -41.39 77.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.987 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -74.25 -40.0 62.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 37.4 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.888 0.375 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -51.18 -47.21 62.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.68 -54.73 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.166 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.0 mp -51.71 -51.44 56.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.59 -64.95 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 61.5 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.876 0.369 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -29.12 70.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -26.61 5.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -69.48 -68.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.7 m -48.59 -45.19 37.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.6 mm -62.67 -46.49 96.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -62.44 -32.15 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -55.06 10.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.5 pt -60.45 -36.0 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.37 -52.06 44.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -56.6 -47.07 80.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 14.6 p -61.73 -46.58 89.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.6 tp -54.75 -57.95 9.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -54.7 -52.81 61.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -53.39 -50.17 65.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.48 -32.85 71.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.24 -61.38 2.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.23 -46.18 69.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 91.2 t -59.18 -52.77 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 82.6 m -53.43 -44.01 68.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.192 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.2 -52.16 65.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -58.69 -37.01 75.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 3.1 t -64.7 -51.44 62.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 11.7 t -68.66 -24.92 64.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.116 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.906 0.384 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 62.28 23.79 14.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.98 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.1 t -107.2 171.57 7.31 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.179 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.8 p -51.57 -43.8 62.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.156 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.9 -51.53 69.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.842 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -61.48 -39.8 92.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.3 t -63.22 -54.14 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.1 -52.09 51.5 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.79 -37.25 93.99 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.38 -46.9 75.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.736 0.303 . . . . 0.0 110.912 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.27 -41.04 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.0 p -64.51 -47.56 78.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.232 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -61.19 -55.15 35.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.3 p -59.25 -33.89 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.4 mt -63.89 -48.7 75.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -63.31 -42.18 98.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -45.18 95.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.1 mt -61.78 -46.99 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.26 -44.83 88.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.68 -42.1 82.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -32.1 73.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -73.91 -50.34 20.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.82 -28.93 66.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -53.96 -33.81 57.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.41 -28.64 69.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.66 28.96 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.42 31.83 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.783 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 59.96 40.21 96.63 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.526 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -87.69 111.81 21.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 77.2 p -61.11 -27.22 68.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.983 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.53 -27.53 58.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 10.3 t -64.46 -34.66 78.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.5 mtp -56.95 -48.05 79.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -102.17 28.23 6.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -79.54 -56.32 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -114.22 26.97 9.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.941 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -96.35 30.35 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.76 -27.58 8.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.45 -36.38 2.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.63 -40.46 79.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -53.12 -29.68 32.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -112.17 33.39 4.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -154.96 29.98 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.82 134.01 34.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -25.77 65.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.91 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 mt -79.93 154.89 75.47 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.608 0.718 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.445 179.789 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.0 mttt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.741 0.305 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.3 mt -104.97 -27.13 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.162 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.9 p -65.62 -45.16 84.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 m -53.97 -52.37 60.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.73 -51.2 57.59 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.08 -49.76 70.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.799 0.333 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.56 -49.17 77.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.2 -49.05 70.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -57.89 -48.53 79.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -54.22 -48.16 71.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t -63.12 -37.5 87.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.829 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -61.17 -63.13 1.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.1 pp -55.8 -39.36 71.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.58 -37.27 86.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -69.18 -45.69 69.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.996 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.5 ttp -66.17 -34.65 78.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.902 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -62.63 -25.91 68.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.98 -38.59 83.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.951 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -131.62 99.36 4.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.1 mt -149.11 175.79 11.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.06 -176.37 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -61.97 -51.11 69.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -71.08 -48.28 53.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -55.91 -35.74 66.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -68.42 -52.98 26.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -46.26 68.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -71.25 -40.0 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.88 -43.39 73.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.053 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -55.67 -49.69 72.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.54 -43.23 96.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -47.46 84.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -60.91 -49.58 76.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -53.72 -53.26 54.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -55.53 -49.36 72.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 22.2 m -54.68 -45.94 74.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -66.63 -30.24 70.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.4 m -70.46 -56.66 6.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.138 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.2 pp -60.78 -37.78 83.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 76.3 mt -70.57 -39.26 75.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.1 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -42.85 96.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.0 mt -68.28 -49.78 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.181 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -62.58 -48.98 77.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -62.1 -39.71 93.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -60.98 -54.14 48.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.84 -51.96 67.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.1 t -58.89 -35.33 55.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -69.12 -39.55 78.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.0 -33.11 70.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.818 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 18.1 tp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 16.2 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.882 0.372 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -51.26 -51.02 57.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.45 -36.59 80.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 51.7 mt -61.27 -64.73 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 4.3 mt -53.49 -50.68 64.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 67.7 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 179.911 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.857 0.361 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -29.26 68.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.71 -26.64 2.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -69.48 -68.26 0.42 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.5 m -48.49 -36.47 15.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.185 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 34.0 mm -67.62 -52.59 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -25.6 68.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -55.14 7.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 16.8 pt -63.13 -36.71 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.216 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.65 -52.53 37.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -56.99 -46.22 82.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.34 -47.35 86.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.8 tp -54.56 -53.3 56.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.68 -54.8 41.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -52.76 -43.06 65.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -61.82 -51.07 69.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.67 -35.75 68.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -67.6 -60.86 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 10.3 p -56.68 -33.24 39.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 93.8 m -67.65 -57.44 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.07 -37.35 69.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -67.05 -48.96 66.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -52.04 67.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.774 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.0 t -61.11 -24.88 66.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.2 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.859 0.361 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 63.66 50.84 2.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.965 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.1 t -108.61 159.18 16.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -51.12 -49.28 61.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.7 m -52.29 -51.44 58.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -60.46 -38.87 85.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.2 t -62.99 -54.41 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.102 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.48 -52.22 51.5 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.501 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.11 -44.16 94.88 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.44 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.45 -49.45 73.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.9 mm -53.91 -44.34 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.073 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.9 p -65.43 -43.0 91.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -59.15 -55.39 35.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.24 -36.37 68.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -48.42 81.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.983 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -64.94 -44.5 89.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.977 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -44.91 91.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.0 mt -63.11 -47.35 92.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.6 t -56.15 -45.72 80.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -42.78 91.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.7 ttt -66.64 -32.07 73.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.52 -51.27 24.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.805 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -28.64 67.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.9 -37.37 63.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.3 mt -56.04 -26.19 48.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.06 30.33 4.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 63.08 34.76 13.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.42 45.83 95.48 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.478 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -100.66 118.5 36.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.1 t -67.61 -35.88 79.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -30.49 71.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.831 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.1 t -61.57 -27.61 68.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.7 mtt -62.01 -48.45 80.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -102.6 30.77 4.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -90.43 -63.91 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.59 23.63 13.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -102.5 27.36 6.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.06 -30.74 14.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.26 -30.89 5.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.61 -41.24 66.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.045 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -53.71 -31.28 47.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -107.46 27.24 9.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -134.27 26.12 3.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.06 126.52 46.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.96 -29.91 28.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.77 156.37 72.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.933 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.134 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.818 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.757 0.313 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 67.8 mt -92.51 -25.08 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.07 -41.81 70.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -52.4 60.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.77 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.69 -48.34 73.68 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.99 -50.18 69.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.865 0.364 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.67 -49.23 78.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -55.27 -49.94 70.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -57.46 -49.9 74.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -54.22 -44.44 71.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.801 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.3 t -63.82 -41.43 97.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -61.82 -64.01 1.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.982 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 pp -51.77 -41.64 61.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.65 -39.68 94.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -64.59 -52.03 59.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 19.6 ptm -65.71 -35.95 82.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.826 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -53.18 -31.4 42.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -63.67 -38.38 90.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -123.07 95.11 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.1 mt -148.23 168.42 22.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -176.02 0.6 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -62.28 -51.16 68.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.788 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -72.28 -48.01 45.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -55.7 -33.35 64.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -53.3 24.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -54.71 -43.85 72.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -73.7 -32.8 64.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.62 -46.46 90.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -55.61 -49.58 72.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.99 -44.11 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.157 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.4 mp -58.67 -49.04 79.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.5 -50.06 75.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.962 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -53.99 -53.06 58.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.94 -45.15 74.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.2 m -56.84 -51.1 70.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -63.95 -28.83 70.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 33.4 m -71.27 -56.45 6.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.22 -35.97 78.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 88.1 mt -70.86 -42.58 77.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -63.63 -40.64 97.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 13.7 mt -68.31 -52.08 41.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.187 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -62.03 -45.29 94.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.06 -39.59 94.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -62.31 -51.8 66.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.49 -52.08 67.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.814 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.0 t -60.91 -35.93 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -42.02 91.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -70.46 -35.26 73.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.94 0.4 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -50.71 -40.91 55.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -64.38 -35.31 80.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.5 mp -68.61 -51.7 39.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.76 -51.04 71.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 66.5 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.901 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 23.5 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.855 0.359 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 4.5 ttt-85 -68.4 -29.45 68.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.4 -26.78 5.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -69.23 -68.76 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.6 m -48.45 -44.93 35.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 37.9 mm -62.78 -45.3 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -62.28 -32.6 73.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.07 -55.12 10.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 23.0 pt -59.41 -35.93 61.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.79 -54.5 18.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -59.8 -49.05 79.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 51.9 p -59.74 -43.87 94.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.5 tp -58.21 -58.02 10.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -50.98 63.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.794 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -57.59 -49.97 74.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -59.19 -32.9 70.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.93 -61.93 1.64 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -51.57 -42.22 61.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.026 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 86.2 t -63.85 -47.88 88.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 99.6 m -60.08 -35.91 76.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.09 -54.62 16.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -65.15 -25.7 67.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.803 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.1 t -73.85 -49.88 22.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.6 t -70.12 -24.86 63.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.191 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.949 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.865 0.364 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 63.55 48.7 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.5 p -110.2 165.65 11.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.108 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -51.71 -46.1 63.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.4 m -54.7 -51.47 65.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -41.26 97.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.56 -54.11 39.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.7 -51.75 54.84 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.99 -40.26 95.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.49 -43.34 97.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.752 0.31 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.64 -40.84 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.7 p -64.18 -46.12 85.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -62.01 -55.33 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.7 p -59.32 -33.24 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.33 -48.11 74.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.1 t90 -63.49 -40.64 97.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -63.45 -45.88 88.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.0 mt -61.82 -43.82 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.8 t -61.07 -50.1 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -64.88 -41.22 95.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -33.92 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.797 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -69.76 -51.32 35.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -28.87 66.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.59 -34.36 61.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.84 -25.56 67.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 65.9 m -95.97 29.8 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.987 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 63.29 31.81 15.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.86 42.14 98.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -100.79 103.71 14.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.6 p -55.16 -26.61 39.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.15 -28.12 67.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.7 t -64.26 -26.16 68.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -49.66 76.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -110.31 25.96 11.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -74.85 -60.29 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -98.16 30.91 2.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -95.85 25.97 4.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.804 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.99 -31.36 11.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.61 -37.47 2.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.09 -31.86 44.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -53.93 -28.15 35.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -121.34 25.89 9.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -137.16 25.9 2.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.58 -48.31 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.52 21.78 8.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.5 mt -84.11 159.27 60.04 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.546 0.688 . . . . 0.0 110.982 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.324 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.731 0.301 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 62.1 mt -106.07 -37.0 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -58.63 -37.96 77.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.2 t -53.84 -52.3 60.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.88 -50.99 55.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.425 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.07 -47.77 71.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.884 0.373 . . . . 0.0 110.947 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.72 -49.11 77.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -50.56 71.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -56.86 -47.51 80.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -55.48 -48.69 74.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.822 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.0 p -62.84 -36.12 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -63.25 -64.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.2 pp -54.12 -39.5 66.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.31 -37.17 86.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -67.27 -47.23 71.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 15.5 ptm -72.85 -25.85 61.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.87 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -45.34 69.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -59.83 -31.83 70.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -110.63 73.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.9 mt -145.16 178.04 8.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.7 -176.01 5.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -61.59 -51.1 69.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -67.75 -50.88 54.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -55.55 -35.84 66.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.68 -53.21 23.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.933 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -51.93 -46.15 64.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.812 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -73.1 -36.54 66.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.94 -45.7 74.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.052 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.36 -45.9 76.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.84 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 94.6 t -66.69 -33.97 66.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.48 -51.02 61.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.983 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -63.4 -39.79 95.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -62.31 -50.57 71.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -59.0 -49.39 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.6 m -55.44 -51.04 68.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -58.38 -38.46 77.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 86.2 m -62.13 -56.0 23.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.193 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.61 -30.32 70.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 40.0 mt -70.41 -39.94 77.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -39.65 71.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 43.5 mt -67.17 -49.66 70.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.76 -49.08 72.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -59.55 -41.74 90.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -62.74 -52.0 64.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -60.06 -51.86 67.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 98.9 t -58.94 -54.24 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -43.68 63.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -70.03 -30.48 67.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.876 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.953 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.858 0.361 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -50.86 -50.5 56.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.956 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.4 -48.7 71.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 16.8 mt -55.06 -53.3 57.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -53.58 -63.37 1.17 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 70.6 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 20.2 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.832 0.349 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -58.24 -29.67 65.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.87 -26.39 5.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -69.62 -69.03 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.6 m -48.45 -44.62 35.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.2 mm -63.26 -47.47 92.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -63.04 -30.45 71.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.46 -55.09 9.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.4 pt -61.2 -36.48 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.21 -53.84 26.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -56.24 -45.85 79.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.4 t -60.94 -48.85 79.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 18.0 tp -54.29 -58.06 8.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -52.69 -52.11 57.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -37.51 72.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -69.66 -31.31 69.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 55.7 mt -72.37 -46.21 56.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.9 ptpm? -65.19 -44.03 89.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 8.3 p -68.85 -34.63 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 8.2 m -69.4 -47.45 64.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -71.72 -30.4 65.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -75.0 -37.38 61.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.747 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.6 t -74.18 -50.76 17.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.062 0.458 . . . . 0.0 110.951 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 11.9 t -51.26 -30.44 17.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 7.3 mtm-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.753 0.311 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 64.14 47.18 3.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.2 p -113.45 162.48 16.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.127 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.7 p -51.8 -41.9 62.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 m -60.42 -51.59 68.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -35.47 77.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.8 t -63.33 -54.6 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.72 -51.94 55.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.76 -41.76 94.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.03 -49.76 71.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.712 0.292 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.0 mm -54.62 -43.38 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.256 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.8 p -65.11 -44.09 89.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.193 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -58.63 -55.57 33.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.63 -36.5 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.168 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.77 -48.54 81.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.002 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -64.53 -42.49 95.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.931 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -45.81 92.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 32.6 mt -61.37 -48.15 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.164 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.8 t -56.91 -51.25 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.39 -46.13 83.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.8 ttt -65.82 -31.89 73.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.2 ttp85 -72.96 -51.25 19.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -28.85 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -56.45 -31.92 64.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.58 -27.5 68.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 56.2 m -99.03 30.97 3.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 t30 63.17 26.55 15.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.64 37.58 93.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.369 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -94.48 110.53 22.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.8 p -55.39 -27.0 44.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.3 -39.31 92.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.794 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -33.92 72.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.0 mtp -58.78 -32.17 69.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -122.88 26.79 8.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -89.55 -62.0 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.21 26.41 8.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.801 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -103.19 26.27 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.62 -29.79 10.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.088 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.61 -33.9 4.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.08 80.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -53.1 -33.17 51.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -113.51 26.23 10.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -141.59 25.89 1.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.66 136.57 32.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.74 -25.59 18.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.96 160.64 45.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 110.958 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.156 0 C-N-CA 122.712 2.275 . . . . 0.0 112.323 179.9 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.0 mttt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.732 0.301 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.1 mt -109.65 -35.34 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.3 p -59.32 -48.65 80.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.833 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 m -53.85 -52.29 60.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.38 -46.94 91.57 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.535 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.6 mt -57.83 -56.13 25.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 110.836 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -48.37 73.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -52.8 -50.84 62.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -58.35 -46.07 86.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.994 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -55.36 -45.07 76.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.841 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -39.08 89.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -60.38 -60.98 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 pp -57.86 -42.29 84.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -34.44 76.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.806 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -71.64 -47.22 55.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 27.9 ttp -70.39 -26.03 63.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -30.34 71.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.934 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -60.09 -39.7 87.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -121.98 94.05 4.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.3 mt -149.06 178.02 9.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -80.01 -176.05 5.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -51.06 68.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -70.78 -47.9 57.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.767 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -55.74 -38.81 70.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -67.72 -51.48 48.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.27 -48.74 65.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -38.15 73.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.88 -45.07 74.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.051 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.61 -49.87 71.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.5 -43.67 94.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.081 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.08 -49.02 79.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -58.3 -50.36 73.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -53.72 -53.15 56.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.07 -44.94 75.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.0 m -58.31 -51.0 71.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.93 -32.5 72.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.2 m -69.08 -56.47 7.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.048 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.3 -32.92 71.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 75.2 mt -72.3 -41.33 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -64.63 -43.82 92.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 23.0 mt -67.7 -48.62 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.57 -50.16 70.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -60.4 -40.07 89.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -63.43 -46.48 86.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -60.38 -52.26 66.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.7 m -65.06 -31.83 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -66.47 -43.31 85.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.88 -26.01 43.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.9 tp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.894 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.851 0.358 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -50.6 -51.14 51.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.795 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.85 -47.51 74.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 22.3 mt -55.17 -55.05 35.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.38 -62.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 66.3 p . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.198 179.905 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.747 0.308 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -77.0 -29.31 55.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.23 -26.72 12.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -70.03 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.8 m -48.92 -45.45 41.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.38 -46.76 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -61.78 -32.2 72.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -69.71 -55.27 10.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 18.8 pt -60.32 -36.36 68.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.22 -52.16 44.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.82 -47.23 86.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.943 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 4.4 t -62.39 -39.42 93.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.1 tp -63.08 -45.64 91.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -57.12 11.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -57.19 -36.73 71.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -64.1 -48.86 74.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 5.6 mp -61.02 -41.7 97.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -61.63 -52.04 66.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.972 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 66.2 t -63.13 -33.16 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 97.7 m -68.43 -47.77 66.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.85 -31.55 70.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.43 -38.29 49.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.962 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 41.5 t -76.6 -48.08 20.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.0 t -52.93 -28.11 21.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.941 179.943 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.6 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.815 0.34 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 63.56 26.44 14.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.95 168.39 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -32.87 37.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.9 p -68.27 -43.77 77.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.69 -50.85 70.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.7 m -62.16 -40.89 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.96 -53.02 49.32 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.41 -38.98 97.21 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 tt -64.87 -44.19 90.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.772 0.32 . . . . 0.0 110.876 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.6 mt -62.03 -43.91 98.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.3 p -62.97 -45.94 90.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -59.04 -55.41 35.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.3 p -60.36 -33.01 52.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.37 -48.66 78.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -65.73 -42.67 90.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.41 -47.25 86.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.804 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.2 mt -60.27 -47.97 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.7 t -56.12 -53.47 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -58.15 -45.56 87.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.1 ttt -63.96 -31.65 72.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.489 HH21 ' NE2' ' A' ' 170' ' ' GLN . 0.8 OUTLIER -68.86 -51.3 41.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.842 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -71.49 -28.5 63.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.34 -36.9 66.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.1 mp -56.9 -32.92 66.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.0 m -95.97 36.68 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.2 t30 58.09 27.31 14.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.2 39.62 98.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -94.92 113.83 25.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.72 -28.4 47.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.789 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.68 -46.55 88.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -26.78 46.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 32.6 mtp -73.82 -42.14 61.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -109.09 34.73 3.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.22 -59.29 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.41 28.54 8.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -96.29 26.35 4.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.93 -25.55 8.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.051 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.29 -37.11 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.23 -40.21 81.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -56.43 -28.91 60.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.805 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -114.94 26.83 9.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -145.8 26.17 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.69 136.54 33.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.953 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.27 -25.95 19.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.8 mp -64.12 160.68 46.34 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.687 0.756 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.856 0.36 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 77.6 mt -125.35 -37.57 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -40.56 74.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.06 -52.35 61.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.3 -50.92 58.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.2 -50.49 69.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.86 0.362 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.84 -49.17 77.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -55.62 -49.56 72.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -56.52 -50.21 72.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -54.2 -47.42 72.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -36.35 83.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -64.57 -64.46 0.87 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 pp -52.56 -42.22 64.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -64.81 -37.67 88.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -70.05 -49.37 51.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 32.2 ttp -68.25 -27.96 66.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -28.08 68.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -59.72 -36.84 77.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -129.07 98.16 4.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.7 mt -148.9 177.88 9.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -78.5 -176.04 4.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.7 -51.25 67.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -70.9 -48.11 55.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.7 mmtm -55.68 -37.22 68.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -68.35 -50.77 50.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -53.12 -47.45 68.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -72.11 -38.11 69.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.82 -45.51 74.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -55.57 -43.21 75.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 63.8 t -67.73 -35.99 74.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.2 -51.12 65.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -63.32 -43.97 96.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -57.15 -53.11 61.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -57.24 -53.76 54.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.786 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.6 m -55.23 -46.15 76.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -54.96 -49.17 72.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.6 m -59.47 -51.51 69.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.143 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -52.21 65.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 67.8 mt -57.54 -37.24 57.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -62.72 -48.31 79.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 69.3 mt -63.0 -53.0 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -58.92 -50.19 74.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.793 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -58.14 -38.02 75.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -63.83 -49.82 71.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -58.53 -52.3 66.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.3 m -63.88 -32.15 55.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -65.84 -43.39 88.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -76.09 -28.77 57.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.909 0.385 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -51.8 -50.95 59.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.816 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -51.82 -48.72 63.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.7 mp -57.85 -48.22 80.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.04 -63.0 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 48.5 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.838 0.351 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 27.7 ptt-85 -81.85 -26.3 34.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 4.3 m -52.3 -26.64 12.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -69.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.962 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.8 m -48.87 -45.6 41.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.29 -46.91 95.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . 0.489 ' NE2' HH21 ' A' ' 45' ' ' ARG . 36.7 tt0 -60.49 -33.41 72.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -69.5 -55.24 10.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 20.1 pt -60.81 -35.72 66.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.211 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 18.1 mt -67.14 -54.27 22.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.936 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -56.42 -48.31 77.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.29 -42.66 99.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.1 tp -57.55 -52.32 65.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -58.93 -56.9 16.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.11 -47.39 68.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -55.83 -51.56 67.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.9 tp -54.35 -48.84 71.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.15 -60.82 2.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.19 -46.55 67.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 92.6 m -52.94 -50.21 64.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.156 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 5.3 tp -61.28 -41.68 97.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -63.9 -30.92 71.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 42.0 t -74.32 -52.16 13.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.808 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.3 t -59.94 -32.88 71.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.169 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.803 -179.892 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.92 0.391 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 63.23 26.01 15.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.959 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.62 176.43 6.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.169 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.98 -33.11 66.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 p -67.8 -42.21 81.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -50.8 68.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.7 m -62.29 -39.7 85.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.177 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.93 -52.54 49.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.525 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.5 -36.61 93.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.547 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 tt -66.32 -50.12 64.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.811 0.339 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.5 mt -59.49 -42.25 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.2 p -63.55 -46.8 84.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -58.06 -55.43 34.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.824 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.5 p -60.05 -34.2 55.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.051 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 mp -61.25 -48.59 80.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -65.05 -43.34 92.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.6 -44.2 97.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.812 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 44.8 mt -62.15 -46.61 96.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.1 t -58.78 -47.38 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.07 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -66.87 -41.37 87.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.2 ttt -66.54 -31.85 72.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.955 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.04 -51.09 16.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -28.73 66.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -53.88 -32.74 54.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.3 mt -58.37 -31.58 67.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.02 29.73 2.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 61.82 28.58 17.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.55 39.09 68.62 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.592 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -93.06 106.73 18.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 110.927 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.77 -27.36 50.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.81 -27.13 67.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -26.14 65.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 10.4 mtt -66.4 -51.8 53.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -97.89 31.65 2.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -78.84 -48.61 14.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -144.48 35.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -96.13 26.36 4.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.804 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.52 -31.09 9.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.109 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.01 -28.12 6.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.68 -47.28 63.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -60.52 -26.27 66.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -107.11 25.9 10.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -143.15 25.06 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.37 178.48 5.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.16 -19.0 10.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.6 158.47 59.87 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.591 0.71 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.341 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.871 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.3 tttt . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.79 0.329 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.8 mt -107.08 -37.54 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.089 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 t -52.52 -41.36 63.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 t -54.03 -52.31 61.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.69 -51.35 54.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.445 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.45 -49.82 66.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.837 0.351 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.71 -49.23 78.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -56.97 -49.65 75.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.93 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -56.02 -47.46 77.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -56.71 -48.44 77.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.779 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.88 -33.0 74.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -67.22 -64.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 pp -52.78 -39.23 62.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.97 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -66.23 -42.71 88.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -60.32 -47.06 87.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.947 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.1 ptm -74.7 -25.96 59.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -37.81 88.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.73 -24.18 63.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -129.55 83.76 2.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.2 mt -147.78 177.97 8.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -76.83 -175.98 3.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -63.11 -51.21 67.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -69.08 -48.78 61.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.1 mmtm -55.76 -41.09 73.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -67.42 -44.66 78.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -55.84 -49.98 71.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.803 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.8 mmtm -71.86 -38.54 70.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.81 -44.76 74.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -55.6 -49.69 72.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.83 -41.05 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.157 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.9 mp -58.91 -49.93 75.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.35 -48.19 82.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -53.92 -53.26 55.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -55.8 -49.1 74.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.9 m -55.64 -48.78 74.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -60.84 -35.25 76.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.7 m -64.84 -56.46 13.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.35 -31.33 71.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.945 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 48.7 mt -71.86 -38.3 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.071 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.45 -42.66 74.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 6.0 mt -67.48 -49.81 67.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -61.99 -50.13 73.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -60.84 -39.75 90.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -61.39 -53.32 58.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -60.55 -52.35 65.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.8 t -57.04 -55.07 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -52.9 -43.03 65.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -69.99 -28.49 65.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.841 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -51.09 -50.31 58.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.38 -48.74 71.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.5 mt -55.6 -51.68 66.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.82 -63.77 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.988 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 58.0 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.16 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.813 0.34 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -28.19 67.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 3.1 m -50.77 -26.59 5.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -69.32 -69.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.8 m -48.47 -45.0 36.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.01 -45.59 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.048 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.6 -30.69 71.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.18 -55.26 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 13.0 pt -59.13 -39.51 78.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.21 -48.52 67.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -44.5 95.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 22.3 m -62.76 -44.04 97.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.4 -47.49 85.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -59.59 -57.19 14.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -59.23 -30.94 68.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -74.92 -30.87 61.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 46.5 mt -74.88 -47.26 31.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -39.51 83.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 5.7 p -70.57 -35.51 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.227 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 22.6 m -75.23 -34.02 61.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -75.99 -35.3 59.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -33.19 40.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 23.6 m -77.36 -49.57 14.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.069 0.462 . . . . 0.0 110.964 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.0 t -51.71 -29.67 19.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.178 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.814 0.34 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 63.48 41.24 7.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.013 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.3 p -95.58 161.47 14.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -51.91 -47.78 64.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.38 -51.2 60.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -36.56 78.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.7 t -63.68 -54.38 32.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.049 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.4 -52.1 54.74 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.513 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.06 -43.8 94.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.506 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.14 -49.5 74.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.743 0.306 . . . . 0.0 110.889 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.5 mm -54.05 -44.58 63.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.5 p -65.12 -43.16 92.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -58.56 -55.45 34.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.1 p -59.97 -35.55 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.102 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -48.63 80.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -65.78 -42.62 90.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.7 -46.43 89.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.7 mt -62.9 -47.09 94.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.092 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.6 t -57.82 -41.7 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.37 -43.71 69.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.8 ttt -65.73 -31.8 73.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -74.81 -50.71 16.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -68.74 -28.82 67.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -54.72 -38.09 66.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.9 mt -55.94 -26.55 48.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.38 33.16 4.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 58.79 37.06 25.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.05 43.29 93.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.567 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -91.69 120.29 32.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.4 p -63.41 -33.45 75.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.816 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -45.7 91.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.801 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.02 -29.95 32.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.7 mtp -61.26 -37.92 84.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.75 26.71 9.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -85.43 -60.78 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.95 26.45 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -103.42 28.82 6.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.55 -30.93 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.69 -32.26 4.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.34 -37.83 57.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.041 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -53.98 -29.2 42.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -117.15 27.07 9.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -146.55 30.07 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.45 -48.87 3.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.26 23.83 9.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.3 mt -83.99 159.25 60.42 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.648 0.737 . . . . 0.0 110.947 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.64 2.226 . . . . 0.0 112.346 179.866 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.6 mttp . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.795 0.331 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.7 mt -74.68 -40.56 47.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.4 t -53.63 -37.09 62.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.3 t -53.92 -52.46 60.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.69 -49.88 61.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tp -55.29 -46.83 76.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 mp -61.86 -48.98 78.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -51.4 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -57.4 -48.24 79.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -54.25 -45.71 72.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.1 m -63.81 -41.0 97.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -62.09 -64.51 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 pp -52.35 -40.14 61.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.67 -37.77 88.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.942 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -65.12 -49.25 70.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.027 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.4 ptm -68.38 -30.4 69.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.84 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -54.17 -36.6 63.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.977 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -45.16 93.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -105.76 82.49 1.8 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.0 mt -145.82 175.72 10.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.007 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.0 -176.04 5.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.09 -51.06 69.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -48.18 63.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -55.91 -40.01 72.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -51.98 45.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.825 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.54 -46.24 63.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -73.17 -36.58 66.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.8 77.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -55.68 -41.32 73.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.7 t -71.02 -35.72 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -51.94 42.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -64.86 -35.25 80.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -65.26 -49.97 67.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.797 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -60.72 -46.68 89.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.7 m -58.02 -48.84 78.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.256 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -58.51 -42.03 86.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 6.7 m -60.54 -55.35 34.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.065 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.55 -30.59 69.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 40.1 mt -71.2 -37.9 68.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.14 -40.63 71.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 85.7 mt -67.78 -48.64 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -64.57 -48.05 76.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -61.3 -40.9 95.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -62.45 -51.27 68.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -57.4 -51.88 67.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.3 t -61.02 -49.95 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -51.91 -44.9 64.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.023 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -68.71 -37.23 79.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -50.07 -48.22 53.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.771 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.63 -45.63 81.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 20.3 mt -57.82 -52.42 65.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.51 -62.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 65.9 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.143 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.837 0.351 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -47.95 66.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.32 -26.83 13.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -69.17 -70.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 10.6 m -48.95 -44.03 40.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.207 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.18 -45.88 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.186 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -63.04 -30.04 71.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.76 -55.38 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 17.6 pt -58.07 -38.77 69.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.07 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.0 -50.15 57.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -52.17 66.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 55.9 p -60.07 -42.74 95.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.1 tp -55.98 -54.01 49.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -55.32 36.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.94 -49.69 65.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -53.62 -53.19 55.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 6.6 mp -55.38 -40.93 71.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -58.78 -62.55 1.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 6.1 p -57.8 -38.76 67.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 60.6 m -55.21 -52.22 64.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.69 -44.34 90.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.967 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -59.01 -29.45 67.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 7.1 t -82.53 -50.13 9.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 6.4 t -66.37 -16.35 64.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.072 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.8 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.852 0.358 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 63.51 36.73 10.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.7 p -109.98 165.85 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 p -58.43 -40.28 82.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m -60.29 -51.65 68.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -62.11 -41.81 98.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.762 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.4 t -61.2 -54.34 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.15 -51.96 52.44 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.25 -40.94 94.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.543 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.38 -49.8 70.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.2 mm -55.44 -42.96 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.151 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.3 p -65.35 -44.23 88.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -57.76 -55.67 31.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.841 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.8 p -60.08 -36.85 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.04 -48.4 81.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -65.5 -42.07 92.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -61.87 -41.12 97.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.0 mt -66.17 -46.79 86.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.179 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.6 t -58.14 -48.12 85.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.263 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -66.5 -41.72 88.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.1 ttp -65.91 -32.14 73.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -72.9 -51.14 19.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.42 -28.86 66.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.93 -38.23 67.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.2 mp -61.29 -26.34 67.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 m -96.23 27.39 3.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t30 62.52 34.23 15.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.41 41.9 98.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.482 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -100.39 105.05 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.5 p -57.82 -26.46 62.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.81 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.8 -29.17 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.65 -28.03 69.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.1 mtp -58.49 -43.97 89.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -116.81 26.03 10.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -74.09 -60.43 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.8 23.33 13.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -76.21 -27.34 56.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.33 -29.73 25.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.13 -31.62 7.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.0 -28.4 51.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.074 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.55 -27.02 56.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -111.59 26.2 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -137.76 27.28 2.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 mt -103.64 -67.32 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 58.18 22.62 9.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.979 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mp -84.16 160.78 56.73 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.526 0.679 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.839 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.78 0.324 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.8 mt -95.6 -29.68 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 m -71.0 -45.5 63.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -52.42 60.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.28 -49.77 68.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.531 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 mp -53.68 -47.06 70.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.918 0.39 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.96 -49.38 76.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.3 -53.37 56.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -55.58 -47.16 76.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.987 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -54.56 -47.48 73.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -38.81 91.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -61.33 -63.59 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.993 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 pp -55.14 -36.87 66.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.928 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -65.98 -36.97 84.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -68.77 -52.03 34.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -66.89 -28.09 68.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.834 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -63.49 -28.62 70.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.79 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -35.65 81.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -128.5 98.17 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.6 mt -148.8 177.96 9.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -75.15 -176.03 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -64.04 -51.22 65.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.9 -47.1 48.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -55.68 -34.18 64.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -68.8 -53.1 23.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.53 -45.07 69.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -72.24 -39.02 68.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.93 -46.4 74.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -55.66 -44.1 76.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 90.5 t -67.26 -34.19 67.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.3 -50.8 62.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -63.27 -41.82 99.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -60.31 -53.13 61.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -57.23 -46.26 83.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 22.2 m -56.47 -51.13 69.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.98 -34.67 73.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.1 m -64.63 -56.15 15.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.116 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.65 -31.38 72.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 67.9 mt -71.17 -38.03 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.076 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.42 -42.22 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.1 mt -66.8 -47.94 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -64.89 -50.05 68.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -59.4 -40.69 87.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -63.49 -49.45 73.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -57.21 -52.07 66.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.3 -28.06 42.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.165 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -69.15 -40.71 78.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.49 -41.73 54.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.895 0.378 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -51.85 -51.09 59.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.07 81.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 48.1 mt -60.77 -62.67 1.69 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.789 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.51 -51.27 65.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 46.9 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.94 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.9 tt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.761 0.315 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -59.41 -30.18 68.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.93 -27.21 12.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -69.75 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.2 m -48.9 -45.35 41.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.53 -47.83 91.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -61.35 -32.04 71.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.51 -55.19 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.8 pt -61.17 -35.84 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -67.24 -50.95 58.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -58.27 -47.33 83.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 10.5 t -61.14 -46.52 90.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 18.5 tp -56.05 -51.36 68.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.67 -57.06 14.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -53.28 -50.04 65.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -57.03 -44.22 82.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 38.8 mt -57.9 -49.81 75.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -57.47 -53.88 53.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 65.0 t -55.2 -37.39 43.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.022 0.439 . . . . 0.0 111.249 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 30.5 m -70.29 -38.15 74.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.76 -38.54 86.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -81.27 -28.23 34.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 7.7 m -78.17 -41.62 34.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.802 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.0 t -65.39 -30.22 71.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.889 0.376 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 63.6 51.46 2.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 t -108.95 158.99 17.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 p -51.44 -48.38 62.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -51.57 55.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -60.18 -39.87 87.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.5 t -64.03 -54.09 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.72 -51.86 49.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.64 -38.79 97.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.532 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.65 -43.56 89.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.28 -40.95 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.1 p -64.31 -47.1 80.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.232 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -61.47 -55.24 33.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.802 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.5 -33.7 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.9 mt -64.2 -48.46 75.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -63.23 -44.11 96.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.64 -47.13 86.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.9 mt -60.09 -48.93 86.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.052 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.3 t -54.69 -53.26 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.71 -40.28 83.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.3 tpt -65.52 -32.03 73.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.98 -48.99 41.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -70.13 -28.29 65.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -53.93 -44.69 70.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.1 mp -58.65 -25.94 63.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.834 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.9 m -95.81 26.09 4.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t30 63.01 37.87 11.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.58 27.68 27.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.443 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -84.5 107.99 17.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.921 0.391 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.7 p -54.97 -26.83 39.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.78 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.05 -44.93 94.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.6 t -53.68 -28.21 32.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.5 mtp -62.47 -41.3 98.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -123.73 38.27 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -90.92 -72.17 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -107.24 32.79 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.87 26.1 4.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.6 -30.86 14.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.06 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.01 -33.78 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.5 -38.7 88.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -54.4 -27.57 37.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -119.23 30.86 6.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 -139.34 24.19 2.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 mp -90.81 -34.21 15.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.63 22.06 9.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mp -84.09 160.67 57.15 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.678 0.751 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.27 . . . . 0.0 112.317 179.893 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.1 mttt . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.733 0.302 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.8 mt -104.87 -26.01 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -50.22 36.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.9 m -55.96 -52.31 64.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.87 -51.11 60.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 mp -54.61 -48.57 72.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.328 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.38 -49.15 75.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -55.27 -52.21 64.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -55.39 -44.22 75.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -59.95 -42.55 94.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.9 m -69.82 -29.37 66.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -72.57 -52.67 14.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 pp -63.46 -42.98 98.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -67.88 -33.16 74.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -67.54 -50.83 56.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 11.4 ttp -70.59 -36.3 73.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -51.6 -36.04 44.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -59.9 -38.52 82.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -123.71 95.78 4.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.5 mt -149.01 173.13 13.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -73.23 -175.94 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -51.33 68.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.803 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -71.92 -48.65 43.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -55.64 -32.15 62.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -66.71 -53.09 37.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.25 -42.43 81.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -72.67 -31.51 65.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.91 87.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.144 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -61.95 -50.45 72.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.83 -36.12 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -50.44 71.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -48.69 79.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -53.95 -51.76 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.87 -51.01 70.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.4 m -56.92 -48.08 79.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -54.74 -47.18 74.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.9 m -60.23 -49.63 76.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.102 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.89 -51.81 68.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 63.1 mt -57.8 -36.49 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -65.89 -47.07 76.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.5 mt -61.83 -51.85 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -61.35 -50.0 74.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -56.22 -39.54 72.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -64.87 -54.94 23.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -48.5 63.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.4 t -69.13 -32.89 55.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -69.3 -27.73 65.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -84.57 -46.04 11.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.883 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.865 0.364 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -51.9 -51.0 59.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.31 -53.68 47.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.8 mp -51.63 -53.07 42.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.86 -64.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 63.1 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.764 0.316 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -31.98 48.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 2.6 m -51.86 -27.0 11.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -69.54 -69.96 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.4 m -48.82 -45.87 41.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.85 -49.21 85.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -59.77 -31.0 69.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.64 -55.19 9.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 18.6 pt -61.62 -36.71 75.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.17 -53.12 33.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -56.58 -46.23 80.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.839 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -49.53 77.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.78 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.4 tp -53.89 -55.87 22.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -52.8 -55.77 20.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -52.92 -38.54 61.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -63.01 -50.49 70.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 22.3 mt -56.41 -48.3 77.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -57.84 -58.85 6.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 60.6 t -54.6 -48.45 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 97.5 m -51.68 -51.37 56.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 6.1 tp -61.13 -38.99 88.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -66.01 -30.38 70.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 39.0 t -75.35 -52.08 11.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.817 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.3 t -58.05 -34.57 70.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.099 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.899 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.9 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.893 0.377 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 63.65 24.55 13.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.964 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.33 166.41 13.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -51.69 -45.93 63.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.84 -51.32 57.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -39.95 90.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 80.9 t -61.9 -54.22 37.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.0 -52.2 52.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.35 -38.33 93.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.524 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.05 -39.97 90.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.767 0.317 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.5 mm -63.91 -53.21 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 t -60.15 -37.83 81.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.17 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -66.97 -55.69 13.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.8 p -62.13 -32.39 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.7 mt -66.62 -48.3 69.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -63.73 -41.3 98.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -62.5 -47.93 81.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 37.7 mt -60.41 -45.75 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.065 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.2 t -59.49 -45.91 93.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -65.83 -44.65 84.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -31.83 73.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -75.29 -49.5 19.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.784 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -29.01 66.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -60.86 -30.08 69.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.4 mt -58.09 -34.22 69.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 54.8 m -96.69 37.31 1.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 56.77 27.65 13.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.57 43.33 77.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -100.35 108.22 20.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 110.915 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.3 p -56.26 -34.08 66.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -30.76 70.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -25.94 67.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.783 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.4 mtp -66.07 -49.76 66.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -113.67 37.06 3.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -71.01 -47.73 57.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.841 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.81 31.08 0.96 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.799 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -70.98 -23.16 62.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.09 19.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 pp -112.52 -37.72 4.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.87 86.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -56.75 -26.0 56.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -109.56 27.65 9.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -132.47 24.07 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mp -102.25 -42.24 6.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 58.13 24.04 10.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mp -83.89 160.61 57.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 C--N 1.34 0.126 0 C-N-CA 122.739 2.293 . . . . 0.0 112.305 179.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.737 0.303 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 78.5 mt -62.22 -23.98 33.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.22 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.98 -41.66 86.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.747 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.85 -52.41 60.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.802 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.04 -51.21 46.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.511 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.42 -48.87 65.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.856 0.36 . . . . 0.0 110.94 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -49.07 76.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -56.12 -56.95 14.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -53.87 -46.14 71.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -55.3 -47.45 75.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -36.69 84.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -62.57 -63.21 1.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.1 pp -55.12 -42.58 73.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.47 -40.65 91.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -65.35 -52.02 56.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.6 ttp -65.26 -27.58 68.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -68.44 -25.97 65.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -60.31 -36.96 79.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -136.73 102.66 4.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.785 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.1 mt -149.09 166.91 27.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -60.01 -175.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.67 -51.21 63.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -71.97 -47.26 53.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -55.53 -36.25 66.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -68.49 -51.03 47.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -53.63 -46.45 70.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -72.14 -39.63 68.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.91 -42.94 72.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -55.72 -49.45 73.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.02 -41.42 90.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.184 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.67 -48.88 79.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -60.53 -49.59 76.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.81 -50.88 65.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -58.25 -45.0 88.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 13.6 m -56.33 -51.11 69.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -64.62 -31.25 72.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 60.4 m -70.4 -55.71 8.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.4 pp -61.36 -35.38 77.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 80.2 mt -71.89 -40.15 68.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.164 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -65.4 -42.79 92.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 9.4 mt -68.3 -47.72 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -64.85 -50.01 68.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -60.48 -40.77 92.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -63.29 -48.22 79.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -58.73 -52.16 66.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.7 p -65.63 -28.84 45.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -69.07 -41.61 77.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -74.68 -37.97 62.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.3 tp . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.891 0.376 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -51.6 -50.91 59.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -51.92 -51.24 58.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.3 mp -55.79 -49.6 72.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.58 -63.14 1.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 45.0 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 8.8 mt . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -34.6 71.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 26.0 m -52.18 -26.56 11.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -69.56 -69.79 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.5 m -48.99 -45.51 42.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.32 -47.69 92.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -61.59 -31.66 71.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.74 -55.11 10.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.4 pt -61.05 -36.18 70.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 9.1 mt -67.42 -50.27 60.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -58.41 -47.21 84.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -45.92 91.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.834 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 20.5 tp -55.6 -58.09 9.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -54.31 -53.12 58.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -53.17 -49.18 67.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -64.04 -28.66 69.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.55 -65.69 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -41.45 69.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 38.1 t -63.29 -52.47 58.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 26.7 m -56.69 -39.71 74.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.16 -55.65 20.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -63.06 -25.53 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 8.4 t -72.52 -48.2 42.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.0 t -69.57 -25.02 63.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.943 0.402 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 63.62 24.4 13.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.35 168.08 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.3 p -51.57 -45.3 63.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.5 p -54.79 -51.63 65.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -61.09 -41.46 96.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.1 t -61.68 -54.28 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.78 -52.0 51.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.35 94.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.97 -48.16 80.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.33 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.2 mm -55.73 -43.86 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.053 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.9 p -65.23 -43.06 92.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.062 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -59.41 -55.22 37.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.7 p -59.93 -36.02 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.059 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.74 -48.28 82.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -65.1 -41.61 94.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -62.16 -45.37 93.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.8 mt -62.69 -46.76 95.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.4 t -58.51 -46.56 89.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -67.07 -43.2 83.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -31.96 73.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -51.24 21.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.48 -28.89 66.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.87 -33.81 70.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.8 mt -55.75 -38.03 69.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -94.83 37.99 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 58.67 32.4 22.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.981 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.4 36.62 91.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -92.27 109.89 21.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 64.2 p -57.29 -37.36 72.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.53 -34.1 66.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.08 -25.88 67.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 43.0 mtp -70.58 -41.92 71.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -112.48 38.46 2.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.976 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.27 -61.52 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.76 23.13 14.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -83.5 -26.24 30.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.68 -56.31 23.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.08 -39.13 56.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.52 -32.2 62.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -56.04 -26.19 47.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -128.5 35.62 4.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -151.17 35.72 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.79 142.88 33.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.05 -23.56 21.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.833 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mt -77.65 154.54 81.16 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.6 0.714 . . . . 0.0 110.989 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.13 0 C-N-CA 122.666 2.244 . . . . 0.0 112.278 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.815 0.34 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 80.6 mt -95.81 -23.9 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.7 t -71.07 -40.23 71.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.0 t -53.76 -52.35 60.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.95 -48.44 60.53 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.22 -54.66 32.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 110.843 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.27 -49.17 78.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -53.55 -56.29 18.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -54.5 -46.46 73.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.82 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -54.22 -47.32 72.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 p -63.57 -39.11 93.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -60.91 -64.55 0.92 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 pp -54.19 -40.94 68.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.89 -31.92 73.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -70.64 -49.77 43.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.7 ptm -72.94 -25.85 61.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -64.49 -30.57 71.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.788 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -60.08 -43.57 95.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -117.33 91.76 3.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.0 mt -146.83 178.11 8.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -78.8 -176.04 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -63.85 -51.06 66.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -69.49 -48.44 60.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.0 mmtm -55.75 -39.77 71.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -68.06 -49.76 59.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.95 -47.81 64.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -38.35 74.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.42 -43.99 75.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -55.68 -39.49 71.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 99.4 t -72.59 -38.55 59.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.06 -51.24 59.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.949 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -63.66 -44.37 94.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -57.63 -52.88 63.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.782 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -57.2 -47.62 80.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 23.3 m -53.89 -50.19 66.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -62.15 -34.48 76.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 20.5 m -65.78 -56.22 13.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.88 -32.84 73.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 67.4 mt -71.27 -37.81 67.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.23 -40.76 74.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 65.7 mt -68.02 -50.08 62.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -62.78 -48.55 78.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -62.37 -39.2 92.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -61.74 -53.72 52.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -59.02 -51.64 69.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 85.2 t -60.35 -35.14 60.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -67.38 -41.49 84.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -71.31 -33.06 69.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.808 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.859 0.361 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -51.13 -49.48 60.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.26 -53.99 46.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.058 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.6 mp -51.74 -52.27 49.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.22 -64.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 57.2 p . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.814 0.34 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 5.4 ptt85 -67.23 -28.04 67.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.91 -26.58 6.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.35 -68.95 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.4 m -48.54 -45.09 36.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.5 mm -62.91 -45.4 98.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -63.39 -31.19 72.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.015 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -55.31 8.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 13.5 pt -59.29 -39.21 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 57.3 mt -67.65 -47.2 70.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -49.99 75.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 53.4 m -62.43 -41.9 99.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.4 tp -57.3 -51.23 70.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -60.73 -56.45 21.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -52.94 -46.66 68.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.58 -38.94 89.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.32 -62.18 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -51.87 -46.5 64.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 77.2 t -60.98 -49.72 83.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 52.3 m -51.79 -52.61 47.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.185 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.1 tp -59.06 -46.65 87.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 57.2 ttm-85 -60.54 -28.86 68.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 41.5 t -75.82 -51.73 11.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.794 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.2 t -62.36 -28.87 70.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.6 t . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.876 0.369 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 63.52 26.03 14.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.55 162.75 13.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -51.61 -47.43 63.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.68 -51.56 54.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.933 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -60.59 -39.98 90.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.1 t -63.42 -54.18 36.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.069 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.59 -51.89 51.76 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.84 -38.0 95.26 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.55 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.23 -43.88 80.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.703 0.287 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.6 mt -63.73 -37.9 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.111 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.6 p -68.28 -46.41 70.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -60.68 -55.25 35.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.3 p -59.45 -39.04 78.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.55 -48.75 79.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -63.31 -44.45 94.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.32 -44.71 95.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.963 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.7 mt -61.28 -48.1 90.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.6 -52.64 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.49 -43.77 84.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.8 ttt -66.91 -31.88 72.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.9 ttp85 -73.42 -51.29 17.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.54 -28.55 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -53.9 -43.17 69.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mp -54.08 -28.73 41.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.3 31.36 2.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 t30 57.43 27.24 13.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.76 43.21 99.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -85.49 105.69 16.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 110.806 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.5 p -53.37 -29.9 36.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.38 -33.73 58.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.8 t -59.65 -27.77 66.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.0 mtp -70.47 -38.37 74.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -109.98 26.26 10.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -82.69 -62.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.55 36.28 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.93 26.3 4.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.46 -27.67 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.51 -33.84 4.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.013 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.04 -41.6 83.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.997 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -60.03 -31.51 70.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -106.52 28.98 7.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.74 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -144.0 26.3 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.45 138.8 34.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.39 -25.66 16.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.03 160.71 45.39 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.656 0.741 . . . . 0.0 110.834 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 C--N 1.342 0.194 0 C-N-CA 122.739 2.292 . . . . 0.0 112.283 179.904 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.5 mttm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.819 0.342 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 60.4 mt -106.62 -29.31 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.25 -49.37 75.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.7 p -56.71 -52.08 66.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.785 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.67 -51.74 56.18 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.411 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.18 -45.56 92.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.883 0.373 . . . . 0.0 110.923 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -44.9 95.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.65 -51.13 71.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -56.44 -48.24 77.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -56.63 -47.23 80.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.7 m -64.04 -34.3 77.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -64.98 -61.95 1.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.964 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 pp -56.15 -41.82 76.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.52 -35.83 82.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -70.15 -52.06 26.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.974 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -67.07 -26.76 66.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -64.74 -30.89 71.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -59.93 -37.0 78.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.51 96.96 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.2 mt -148.16 175.28 11.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -75.85 -178.89 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -60.14 -51.22 70.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -73.07 -47.34 45.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -55.66 -36.29 66.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -67.78 -50.07 58.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.95 -46.78 75.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -71.04 -40.12 71.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.962 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.99 -44.34 74.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.75 -49.7 72.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.5 t -60.66 -42.3 91.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -50.02 75.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.7 tm0? -59.31 -48.52 81.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -53.78 -53.15 56.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -55.72 -48.12 75.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.0 m -58.21 -49.37 77.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -54.88 -45.58 74.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.3 m -61.28 -54.52 42.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.149 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.36 -51.9 63.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 60.6 mt -59.5 -36.5 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -62.8 -47.88 81.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 64.8 mt -62.53 -53.16 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -59.57 -50.05 75.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -58.51 -36.94 74.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -64.64 -50.12 68.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.6 -52.5 65.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.5 m -62.96 -32.07 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.16 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -66.98 -42.8 84.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -76.05 -27.53 57.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.967 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.527 0.062 0 CA-C-O 120.849 0.356 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -51.58 -48.04 63.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -57.0 -52.79 63.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.5 mp -51.53 -56.06 15.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.27 -63.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 78.8 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.908 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 33.3 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.857 0.36 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -33.41 72.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.78 -26.5 5.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -69.58 -69.07 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.778 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 95.4 m -48.51 -44.83 36.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.222 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.1 -45.7 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.17 -32.22 73.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -55.13 10.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.7 pt -60.22 -36.12 66.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 25.1 mt -67.26 -55.61 13.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -54.41 -46.55 73.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.986 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 3.6 t -61.45 -46.56 89.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.8 tp -54.32 -56.89 13.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.04 -52.89 61.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.33 -45.13 72.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -62.04 -37.28 84.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 2.6 mt -63.95 -59.49 4.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.03 -43.94 70.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.51 -52.8 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 52.1 m -50.34 -44.83 54.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.5 tp -67.18 -45.48 76.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -25.17 66.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 47.6 t -82.35 -50.84 8.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.8 t -65.55 -14.49 61.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.176 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.842 0.353 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 63.32 25.45 14.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.012 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.83 166.86 11.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.15 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 p -51.5 -45.88 63.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 p -52.95 -51.92 59.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -40.14 89.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.2 t -63.59 -54.36 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.54 -52.23 46.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.54 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.5 -37.96 95.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.92 -50.85 61.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.957 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.1 mt -57.2 -41.78 78.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.9 p -65.17 -45.96 82.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -57.15 -55.42 35.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.96 -35.83 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.224 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.82 -48.43 81.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -65.55 -42.12 92.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.06 -45.66 93.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.4 mt -62.46 -50.09 81.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.2 t -54.01 -54.37 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.182 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -57.75 -43.63 85.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.6 ttt -64.57 -31.8 73.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -69.74 -51.27 35.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -70.99 -28.47 64.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.35 -31.6 63.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.1 mt -58.45 -35.23 71.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 79.7 m -95.9 37.2 1.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 56.8 30.79 18.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.43 35.62 91.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -88.73 119.24 29.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.822 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.4 -33.55 74.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.77 -42.16 88.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.11 -29.86 65.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 30.6 mtp -70.19 -29.63 66.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -117.32 28.6 8.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.65 -58.14 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.49 23.56 13.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -105.13 26.31 9.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -102.79 -39.23 7.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.77 -28.79 8.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.16 -31.41 61.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.041 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -55.92 -27.94 54.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.842 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -124.18 37.42 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -149.32 28.12 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.43 134.17 39.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.951 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.26 -26.63 30.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mp -66.77 160.72 66.82 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--N 1.342 0.206 0 C-N-CA 122.66 2.24 . . . . 0.0 112.378 179.857 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.0 tttt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.751 0.31 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mt 71.03 -69.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.9 -49.32 59.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.6 t -54.04 -52.59 60.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.44 -49.64 72.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.54 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -51.93 -48.3 64.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -49.45 76.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.818 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.81 -51.26 68.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -57.21 -47.11 82.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -54.19 -49.26 69.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.6 t -62.71 -37.16 85.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -61.45 -64.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.918 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 pp -54.63 -39.04 67.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -64.31 -36.66 84.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -69.39 -51.83 32.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.953 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.7 ptm -66.01 -32.76 74.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -26.24 67.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -63.39 -36.98 85.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -126.91 96.99 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.0 mt -149.0 174.31 12.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -75.97 -176.24 3.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.85 -51.1 69.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -71.52 -47.49 54.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -55.82 -39.1 70.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.04 -49.11 66.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.16 -49.87 68.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -69.6 -39.66 77.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.823 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.86 -43.71 73.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.022 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -55.75 -49.31 73.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.1 t -61.69 -42.62 95.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.43 -48.4 79.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -62.25 -48.98 77.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -53.92 -53.25 55.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -56.65 -50.6 71.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 32.8 m -52.25 -43.94 64.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -68.23 -33.75 74.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.0 m -65.63 -56.75 10.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.69 -43.12 99.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 75.5 mt -64.33 -35.18 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.177 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -71.23 -40.47 71.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 21.4 mt -66.21 -49.3 77.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.157 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -65.14 -49.02 71.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -58.41 -42.82 88.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -63.21 -53.99 44.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -57.31 -49.78 75.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.6 t -63.57 -33.82 63.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.199 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -69.01 -36.48 77.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -73.28 -43.29 61.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.802 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.966 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.867 0.365 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -51.81 -50.65 60.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.03 93.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 25.1 mt -58.66 -64.58 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 13.6 mt -51.76 -54.3 30.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 68.7 p . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 9.7 tp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.738 0.304 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -80.24 -29.83 38.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.8 -26.61 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -69.54 -68.86 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.7 m -48.44 -44.78 35.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.38 -46.13 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.182 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.97 -31.35 72.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.975 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.65 -55.01 9.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 17.4 pt -60.28 -37.05 72.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.053 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.2 -54.9 16.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -55.21 -47.72 74.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 4.8 t -59.5 -47.88 83.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.8 tp -54.01 -55.74 24.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -54.0 -57.12 12.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -53.67 -40.12 65.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -60.69 -52.07 66.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 7.1 mp -56.7 -43.59 80.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -59.73 -50.15 74.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.99 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.01 -49.61 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 21.5 m -57.03 -39.15 74.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.47 -55.99 14.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -62.58 -24.88 67.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 9.2 t -74.16 -48.04 31.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 12.5 t -72.03 -26.51 62.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.879 0.371 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 63.48 24.87 14.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.73 161.61 14.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -51.58 -47.98 63.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.6 -51.41 55.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -61.24 -38.68 87.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.0 t -62.62 -54.25 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.44 -52.04 54.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.44 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.84 -40.8 95.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.71 -37.81 87.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.782 0.325 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.4 mm -63.99 -53.48 43.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.6 t -60.71 -37.97 83.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.189 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -63.02 -55.71 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.823 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.4 p -61.27 -32.08 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.041 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.61 -48.28 75.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.5 t90 -64.59 -44.69 89.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.78 -46.5 87.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.6 mt -61.83 -47.68 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.1 t -56.05 -43.17 74.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -68.11 -41.92 81.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -32.26 73.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -49.35 22.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -70.06 -28.96 65.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -55.03 -34.27 63.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.69 -33.94 76.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.25 27.73 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.05 36.56 21.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.83 43.84 94.53 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.566 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -86.94 125.76 34.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.0 p -67.17 -39.31 86.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -35.77 80.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -57.91 -27.3 63.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.2 mtp -69.1 -47.56 64.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.817 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -104.49 33.64 3.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -85.89 -58.17 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.94 22.93 14.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.816 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -98.73 33.27 2.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.5 -32.47 5.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.18 -29.42 5.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.62 -32.63 65.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -58.35 -27.47 64.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -114.9 31.98 6.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -148.98 30.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.27 153.55 19.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.74 -25.97 13.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.1 160.67 46.33 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.595 0.712 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.166 0 C-N-CA 122.598 2.199 . . . . 0.0 112.404 179.835 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.805 0.336 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.2 mt -118.4 -29.6 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 p -68.14 -43.99 77.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -52.3 61.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.876 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.56 -51.06 60.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.5 mt -53.67 -52.29 60.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.887 0.375 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.02 -47.67 80.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -53.57 46.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -57.78 -44.93 86.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -57.16 -47.05 82.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.794 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -35.94 82.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -63.22 -62.11 1.91 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 pp -57.01 -42.21 79.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.27 -31.31 72.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -70.7 -52.19 22.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.5 ptm -71.19 -27.89 63.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -56.17 -37.76 70.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -59.85 -41.03 90.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.01 87.05 2.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.0 mt -149.09 178.03 9.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -82.41 -175.85 5.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.74 -51.31 67.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -65.68 -51.87 56.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -55.7 -33.85 64.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -50.93 61.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -45.31 86.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -70.6 -32.85 70.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.5 -36.25 80.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -65.37 -50.75 64.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.4 p -63.69 -38.66 82.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.29 -49.16 75.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.65 -49.79 76.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.3 mtp85 -54.74 -53.07 59.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -54.47 -47.29 73.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.5 m -58.93 -50.09 75.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -56.45 -37.17 69.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 89.1 m -66.34 -56.48 10.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.169 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.1 -31.27 66.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.965 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 76.7 mt -73.47 -41.3 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -44.79 93.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.4 mt -68.31 -53.24 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -57.26 -50.11 73.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -62.96 -39.18 93.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -56.82 -52.84 63.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.35 -52.54 61.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.9 t -53.55 -42.16 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.142 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -69.24 -37.83 78.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -72.17 -19.99 61.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.792 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.897 0.38 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -50.76 -51.02 54.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.3 -46.17 76.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 18.1 mt -55.97 -55.52 31.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.5 -62.58 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.954 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 69.6 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.926 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.76 0.314 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -80.98 -27.91 35.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.979 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.8 -26.44 5.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.16 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -69.47 -69.09 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 85.7 m -48.54 -45.46 37.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.0 mm -62.33 -46.17 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -62.46 -32.53 73.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -55.16 11.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.4 pt -60.49 -36.02 66.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.07 -51.72 50.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -58.99 -44.95 91.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.83 -44.57 96.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.0 tp -58.68 -58.06 10.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.11 -56.0 19.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -55.73 -39.99 71.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -66.45 -30.55 70.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 57.5 mt -72.05 -51.8 19.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.9 -44.45 91.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 18.6 m -69.2 -36.54 73.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.5 m -60.9 -48.6 81.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.149 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.9 tp -69.52 -44.86 70.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -60.76 -28.88 69.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 8.5 t -82.61 -49.75 9.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.0 t -63.63 -15.78 59.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 4.4 mtm-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.89 0.376 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 64.7 47.16 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.1 p -119.79 158.94 25.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.167 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.74 -35.56 32.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -45.64 70.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.51 -51.16 70.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.3 m -61.5 -42.58 94.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.19 -52.42 52.66 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.558 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.26 -38.01 95.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tt -68.05 -34.28 76.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.339 . . . . 0.0 110.963 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.2 mm -69.11 -49.01 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 t -63.86 -40.43 96.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.187 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -65.17 -55.37 19.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.6 p -59.85 -32.87 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.5 mt -65.77 -48.66 71.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -62.92 -41.94 99.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -62.58 -46.07 90.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 34.8 mt -59.51 -47.69 89.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.146 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.1 t -58.21 -55.35 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -59.37 -44.45 92.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.7 ttt -63.72 -31.7 72.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -51.33 32.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.813 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -70.43 -28.31 64.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.09 -30.83 64.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.1 mt -58.36 -34.14 70.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 92.5 m -95.52 35.81 1.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 t30 60.23 28.05 17.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.03 39.92 97.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -94.74 112.4 24.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 t -55.47 -26.84 44.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.785 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -63.15 -42.6 99.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.2 t -58.03 -35.47 71.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 19.9 mtp -54.98 -39.69 69.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -120.22 31.84 6.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -85.3 -63.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.71 27.7 6.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.8 27.66 3.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.9 -31.93 9.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.14 -35.47 4.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.969 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.88 -28.72 24.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -57.17 -26.18 60.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -125.46 30.41 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -143.74 25.89 1.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.25 -47.96 5.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.03 23.04 9.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.2 mt -84.19 159.26 59.83 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.635 0.731 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.63 2.22 . . . . 0.0 112.382 179.902 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.0 mptt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.819 0.342 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.8 mt -108.29 -24.56 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.071 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.85 -46.74 62.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.81 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.5 p -53.83 -52.33 60.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.911 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.31 -49.73 71.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.6 mp -56.86 -45.17 82.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.371 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.85 -49.31 77.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.2 -54.42 45.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -53.88 -48.13 70.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -54.34 -49.17 70.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.821 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.1 m -61.56 -35.53 78.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -64.15 -64.45 0.88 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 pp -53.22 -38.75 63.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -39.27 90.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -67.56 -37.6 82.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.8 ttt -74.95 -37.72 61.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.806 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -25.95 64.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.974 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -59.93 -41.21 91.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -129.66 98.67 4.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.5 mt -147.23 176.69 9.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -82.1 -175.95 5.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.82 -51.26 68.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -69.17 -49.75 53.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -55.65 -35.8 66.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.89 -48.91 64.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.34 -46.75 79.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -70.73 -42.29 70.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.4 -40.67 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -55.71 -43.32 76.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.2 t -73.03 -34.62 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -50.72 60.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -66.62 -44.22 82.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -58.19 -53.48 57.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -58.99 -48.76 80.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 90.7 m -52.99 -45.14 67.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -35.37 80.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.3 m -67.6 -56.56 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.1 pp -60.54 -37.11 80.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 46.0 mt -70.16 -36.35 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -67.21 -44.51 79.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.7 mt -67.38 -52.12 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.51 -50.24 74.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -61.37 -40.57 94.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -59.5 -47.63 84.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -62.52 -52.29 64.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 62.6 t -58.91 -41.33 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -69.16 -38.15 78.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -65.39 -37.24 86.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.894 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.9 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.5 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.886 0.374 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -54.49 -37.65 65.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.811 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.53 85.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 12.3 mt -61.85 -52.85 62.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 47.8 mt -59.55 -53.21 60.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 69.4 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.904 0.383 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -30.38 71.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.765 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.52 -26.62 5.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.1 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -69.76 -68.74 0.39 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 94.5 m -48.2 -44.34 32.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 37.8 mm -63.04 -51.99 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -56.1 -31.68 63.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.53 -55.31 8.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 26.6 pt -62.35 -35.68 70.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.77 -52.82 32.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -58.49 -46.12 87.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 4.8 t -60.31 -51.66 68.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.809 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.2 tp -52.79 -57.0 11.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -51.76 -52.09 51.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -57.09 -38.95 74.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -68.89 -30.29 68.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 4.6 mt -72.46 -47.51 48.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -63.5 -45.19 91.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 21.1 m -67.38 -36.49 76.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 18.8 m -71.81 -35.05 69.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -71.76 -42.49 67.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -74.38 -32.59 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.82 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 27.2 t -71.56 -52.1 19.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.8 t -63.92 -25.04 67.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.761 -179.888 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.0 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 63.77 25.4 14.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 t -87.54 161.53 17.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.239 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -51.46 -46.85 63.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.225 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 t -51.66 -51.45 55.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.793 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -60.44 -39.06 86.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.66 -54.37 34.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.65 -52.02 53.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.536 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.71 -38.92 94.56 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.546 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.83 -37.77 85.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.3 mm -65.24 -51.57 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 t -61.93 -38.83 89.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.183 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -63.08 -55.49 24.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.7 p -61.22 -31.92 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -65.31 -48.2 73.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.7 t90 -65.07 -42.02 94.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -60.78 -48.53 81.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 40.8 mt -60.83 -50.16 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.3 t -53.31 -58.75 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.18 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.01 -45.04 71.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.3 ttp -61.42 -31.98 71.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.79 -50.34 30.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -68.54 -28.9 67.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -55.09 -39.84 69.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.3 mt -54.53 -32.37 58.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 67.6 m -96.43 40.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 54.85 28.05 9.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.81 40.83 51.61 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.543 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -99.37 111.24 23.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 110.828 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.75 -28.66 69.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.799 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -26.56 64.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.75 -31.37 72.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.3 mmm -61.55 -31.52 71.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -122.69 29.57 6.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -86.02 -69.81 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.78 27.88 5.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -81.07 -26.09 36.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.86 -65.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.04 -40.1 92.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.07 -33.15 68.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -53.57 -28.44 31.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.822 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -111.42 29.86 7.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -142.93 26.81 1.68 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.03 135.68 53.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.999 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.97 25.82 2.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.8 mp -82.9 160.67 60.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.497 0.665 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.155 0 C-N-CA 122.66 2.24 . . . . 0.0 112.376 179.849 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.745 0.307 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.5 mt 71.01 -69.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.205 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.87 -49.93 58.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 t -54.66 -52.25 62.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.71 -48.87 84.07 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.434 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 16.7 mt -52.35 -50.05 63.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.01 -49.09 79.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.06 -53.14 59.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.811 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -56.9 -47.41 80.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -54.53 -48.46 71.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -37.35 86.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -62.1 -64.41 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.1 pp -54.65 -39.88 68.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.985 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.39 -36.31 82.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -66.54 -52.02 50.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.974 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.0 ptm -71.03 -25.92 62.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.881 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -51.68 -45.2 63.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.82 -37.32 78.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -106.82 78.67 1.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.9 mt -149.05 178.04 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -82.34 -175.87 5.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -51.3 69.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.64 -51.41 56.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -55.69 -36.31 67.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.826 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -68.0 -53.01 29.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.07 -47.2 65.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -71.63 -37.35 70.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.74 -46.78 74.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -55.71 -43.01 76.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.7 t -67.61 -34.41 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.056 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.14 -50.92 59.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -62.29 -43.15 99.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -60.91 -51.66 68.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.812 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -56.36 -47.04 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 8.9 m -57.68 -51.02 71.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -57.42 -37.22 72.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 96.2 m -66.45 -55.73 14.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.183 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.28 -30.63 69.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 51.5 mt -71.54 -44.94 70.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.072 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -40.8 96.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 24.1 mt -67.62 -50.67 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.086 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -63.99 -46.82 82.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.815 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -61.73 -40.6 95.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -62.82 -53.94 46.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -52.02 65.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.81 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 92.7 t -60.37 -47.77 91.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.102 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -53.0 -45.28 67.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -70.02 -34.64 73.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 10.1 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.021 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.862 0.363 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -50.76 -51.01 54.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.0 -49.31 71.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 11.2 mp -53.4 -56.06 19.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.61 -63.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 59.4 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.263 179.913 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.791 0.329 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -81.52 -39.11 25.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.12 -27.08 12.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.074 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -69.43 -69.84 0.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 90.4 m -48.94 -44.08 40.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.4 -46.25 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.189 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -60.75 -33.91 73.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -69.59 -55.41 10.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 20.1 pt -60.78 -36.02 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 18.4 mt -67.14 -51.99 47.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.56 -48.95 76.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -42.34 99.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.791 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.5 tp -56.16 -55.37 33.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.17 -55.04 40.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -52.83 -42.39 65.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -60.66 -50.75 72.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 35.3 mt -54.7 -48.57 72.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -59.98 -52.28 66.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 96.0 t -57.21 -43.55 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 35.4 m -59.72 -48.15 82.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.155 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -58.73 -56.01 27.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -61.78 -26.49 68.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 28.8 t -73.63 -48.58 31.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.3 t -69.15 -25.17 64.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.14 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.815 0.341 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 63.51 22.49 13.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.3 t -95.5 164.78 12.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 p -49.94 -46.9 52.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.171 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.1 m -55.27 -51.35 66.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.805 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -60.52 -37.04 79.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.7 t -63.46 -54.48 32.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.101 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.82 -52.25 53.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.57 -42.08 95.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.443 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.53 -47.36 81.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.322 . . . . 0.0 110.981 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.3 mm -56.99 -43.38 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.9 p -64.45 -44.75 90.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -58.18 -55.5 34.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.773 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.77 -36.32 70.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.13 -48.28 82.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -66.22 -42.87 88.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -60.1 -43.66 95.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.5 mt -64.29 -49.57 80.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.4 t -54.0 -54.59 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -59.12 -44.25 91.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.9 ttt -62.74 -31.61 72.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -71.26 -51.25 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -69.35 -28.41 66.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -58.97 -32.63 69.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.9 mt -55.85 -33.94 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 30.9 m -97.11 37.02 1.36 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.816 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 63.19 26.67 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.28 36.18 92.46 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -91.28 111.87 23.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.88 0.371 . . . . 0.0 110.805 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.19 -30.68 28.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.964 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.71 -43.43 80.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -57.19 -26.05 60.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.4 mtp -69.68 -51.75 31.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -111.32 43.15 1.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.82 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.03 -49.09 6.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.5 26.9 4.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -74.85 -27.44 60.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.34 -26.08 51.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.59 -38.18 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.91 -38.49 75.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -53.92 -32.9 55.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -115.91 33.53 5.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -143.53 26.24 1.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.04 134.65 37.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.49 -26.59 30.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.73 160.63 59.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.694 0.759 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.193 0 C-N-CA 122.721 2.281 . . . . 0.0 112.334 179.898 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.4 mttt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.781 0.324 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.3 mt 70.97 -69.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -50.02 74.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.798 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -52.81 62.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.792 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.17 -47.37 90.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.527 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 mp -54.62 -47.93 72.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.877 0.37 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -49.53 76.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -49.08 78.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -56.49 -51.26 69.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -54.48 -45.18 73.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.49 -38.46 89.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -65.45 -64.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.9 pp -51.0 -39.99 57.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -67.44 -38.07 83.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -63.45 -46.69 85.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.7 ptm -75.12 -31.2 61.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -27.5 67.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -59.75 -33.02 71.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -136.07 95.48 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.9 mt -145.37 178.08 8.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.88 -176.03 3.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.53 -51.3 66.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -68.17 -50.04 56.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -55.79 -33.77 64.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.9 -48.91 51.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.986 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -55.55 -46.37 77.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.6 mmpp? -71.25 -41.71 69.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.88 -42.03 71.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -41.37 73.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 98.0 t -72.27 -36.81 56.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.206 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -51.28 57.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -44.22 91.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -58.39 -52.83 63.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -57.45 -47.94 80.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 29.6 m -54.18 -48.17 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -63.0 -35.31 79.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.7 m -65.43 -56.36 12.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.065 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.18 -34.02 74.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 53.6 mt -69.99 -37.78 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.171 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -71.36 -37.37 71.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.4 mt -68.84 -49.72 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.072 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -65.64 -46.2 80.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -62.38 -41.5 98.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -63.17 -52.9 60.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.95 -52.23 66.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.812 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 88.5 t -59.71 -50.38 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -52.4 -44.88 65.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.09 -32.58 70.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.803 0.335 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -51.07 -47.79 61.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.02 -35.82 75.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 42.4 mt -65.63 -57.54 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.33 -52.57 61.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 67.8 p . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.24 179.868 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.723 0.297 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -52.27 -30.78 29.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 3.8 m -50.69 -26.43 5.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -69.71 -68.87 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.5 m -48.46 -45.76 37.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.8 mm -61.88 -49.97 82.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -62.04 -29.43 70.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -55.26 10.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 21.1 pt -60.94 -35.92 68.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.78 -51.88 50.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -57.3 -48.47 78.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.91 -41.85 96.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 7.8 tp -58.95 -58.15 9.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.92 -52.13 58.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -57.81 -46.41 84.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.95 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -62.57 -31.15 71.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.929 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 37.0 mt -69.8 -56.65 6.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.69 -42.17 78.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.961 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 82.1 t -63.92 -52.83 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.006 0.432 . . . . 0.0 111.198 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 83.6 m -53.26 -46.9 69.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.175 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -61.44 -52.35 64.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -59.41 -31.73 69.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 35.4 t -70.1 -50.29 42.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.0 t -67.88 -24.69 65.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.103 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.909 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.813 0.34 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 57.2 33.86 23.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.71 166.99 10.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.2 p -51.5 -46.2 63.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.199 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.9 m -56.81 -51.51 68.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -61.66 -39.29 90.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.9 t -62.01 -54.21 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.99 -51.77 56.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.8 -41.72 94.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.15 -50.89 66.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.343 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.9 mm -53.95 -44.02 60.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.1 p -64.7 -45.29 87.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -62.61 -55.26 28.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.779 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.6 p -59.24 -33.89 52.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.7 mt -64.77 -48.48 74.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.977 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -63.4 -41.03 98.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -62.4 -46.07 90.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.4 mt -60.83 -48.0 90.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.16 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.4 t -57.32 -52.76 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.118 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -57.76 -44.13 85.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.7 ttp -66.57 -31.8 72.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.831 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.58 -51.27 17.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.54 -28.66 66.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -54.62 -41.2 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.816 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.0 mp -53.94 -28.2 35.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.4 m -96.48 32.02 2.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t30 61.49 26.7 16.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.03 42.18 94.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.447 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -99.78 107.38 19.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.338 . . . . 0.0 110.83 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.0 m -52.94 -30.57 35.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -43.45 98.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.828 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -54.1 -33.75 58.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.5 mtp -56.93 -32.09 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -121.54 26.54 8.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -93.11 -57.25 2.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -98.92 26.61 5.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -103.17 27.76 6.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.47 -32.76 6.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.24 -37.3 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.01 -40.97 70.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -55.69 -26.24 43.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -107.09 26.3 10.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -150.55 25.16 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mt -97.77 -50.79 4.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.68 21.92 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.978 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mp -83.97 160.64 57.52 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.556 0.693 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.742 2.294 . . . . 0.0 112.245 179.845 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.776 0.322 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.4 mt 70.98 -69.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.237 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.9 m -51.14 -48.06 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 m -61.33 -52.29 65.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.37 -51.06 59.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -55.44 -49.41 72.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -55.39 -49.35 72.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -55.28 34.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -57.12 -42.93 81.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -55.71 -48.96 74.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.9 -39.94 95.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.789 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -61.6 -64.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.7 pp -54.17 -37.46 64.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.66 -40.5 96.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -66.68 -52.3 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.9 ptm -65.94 -25.99 67.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -27.73 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.38 -37.96 82.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -127.67 97.73 4.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.9 mt -145.45 178.02 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -77.23 -175.92 3.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.84 -51.25 67.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -72.22 -47.74 48.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -55.59 -34.59 64.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.921 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.65 -45.2 75.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -46.03 92.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.813 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -71.66 -32.6 68.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.08 -39.06 86.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -62.36 -50.42 71.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.25 -35.55 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.165 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.9 mp -62.61 -50.27 71.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.996 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -48.7 78.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.943 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -53.71 -52.89 58.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.72 -52.86 63.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.824 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 12.8 m -51.76 -40.63 60.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -68.27 -37.34 80.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.0 m -63.66 -56.75 13.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.164 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -44.78 93.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 62.4 mt -59.8 -39.73 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -66.44 -45.54 79.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 6.0 mt -65.05 -46.61 90.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -65.75 -48.08 73.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -58.46 -43.46 88.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -64.45 -47.07 80.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -57.12 -52.0 67.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.15 -27.76 38.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -69.02 -39.26 79.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -77.54 -45.83 24.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.815 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 23.8 tp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 -179.923 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.99 0.424 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -51.49 -50.96 58.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -52.03 -46.49 65.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.12 -49.39 77.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.72 -61.61 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.6 tp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.754 0.311 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -37.08 57.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.22 -26.87 12.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -69.44 -69.89 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 34.7 m -49.03 -44.46 41.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.3 -48.71 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -61.85 -29.01 69.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.45 -55.48 7.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 17.9 pt -59.15 -37.17 66.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.88 -51.1 52.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -59.56 -51.92 67.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 47.2 p -58.98 -44.66 91.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.824 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.0 tp -56.24 -58.06 9.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -52.88 -54.34 36.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.96 -49.99 64.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -60.92 -30.96 70.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.2 tp -67.58 -59.11 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -55.89 -43.87 77.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.03 -46.21 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 88.2 m -64.84 -31.31 72.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -70.7 -47.96 57.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -74.48 -24.4 59.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.0 m -77.4 -52.11 9.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.6 t -63.32 -24.02 67.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.061 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.789 0.328 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 61.25 58.56 2.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 t -123.29 167.23 14.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.13 -44.5 52.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -51.72 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -41.19 97.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.3 t -61.25 -54.24 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.168 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.82 -51.87 54.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.8 -41.59 94.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.3 -46.28 87.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.1 mm -58.97 -41.83 84.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.3 p -65.1 -43.99 90.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.195 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -61.7 -55.17 33.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.9 p -59.31 -35.52 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.064 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 mt -62.51 -48.81 77.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -63.18 -42.16 99.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.85 -45.24 95.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.7 mt -61.54 -46.9 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.224 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.4 t -58.23 -46.26 88.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.038 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -43.76 83.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.2 ttt -65.22 -31.9 73.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.3 ttp85 -72.57 -51.18 20.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.837 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -28.76 66.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.5 -36.05 66.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.9 mp -59.3 -26.27 64.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.57 29.78 5.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.4 t30 61.61 36.4 16.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.69 48.18 83.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.452 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -98.79 107.33 19.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.859 0.362 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 98.1 p -57.77 -31.5 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.78 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -35.39 74.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.7 t -57.06 -26.61 60.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.4 mtp -62.17 -51.56 67.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.964 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -104.24 36.89 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -90.98 -52.54 4.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -105.98 35.58 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 55.6 p-10 -96.64 26.22 4.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.787 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.29 -29.68 10.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.059 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.81 -33.39 4.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.54 -29.87 70.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -62.08 -26.89 68.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -121.09 33.04 5.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.955 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -146.29 26.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.59 -50.59 4.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.52 24.84 9.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.4 mt -84.08 159.3 60.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.652 0.739 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.209 0 C-N-CA 122.696 2.264 . . . . 0.0 112.318 179.923 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 mttt . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.684 0.278 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.5 mt 71.67 -66.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.14 -42.32 50.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.807 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 94.9 p -60.65 -50.68 72.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.04 -52.33 53.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.61 -33.74 75.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.886 0.374 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.4 tp -64.79 -49.43 70.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.06 -49.44 75.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.83 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -58.2 -43.49 87.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.964 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -60.63 -45.16 95.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 t -62.98 -39.7 95.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -64.36 -64.5 0.86 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.6 pp -51.77 -39.33 58.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.69 -43.4 96.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -62.38 -41.31 98.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 33.6 ttp -68.79 -37.99 79.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -52.33 -33.71 43.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.72 -37.48 79.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -121.21 89.88 3.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.0 mt -149.02 177.67 9.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -77.29 -175.91 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.99 -51.09 68.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -72.55 -46.88 52.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -55.77 -37.81 69.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.941 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -68.11 -48.38 65.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.66 -48.37 72.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -71.57 -38.34 70.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.78 -46.77 74.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -55.42 -43.63 75.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 64.1 t -67.14 -35.3 73.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.2 -51.04 63.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -63.38 -42.74 98.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 21.7 ttp85 -58.99 -53.61 56.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -56.99 -49.26 76.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 12.2 m -56.63 -46.22 81.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.11 -33.67 74.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.8 m -67.62 -56.41 9.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 pp -60.31 -33.68 72.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.966 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 65.2 mt -69.77 -44.2 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -63.64 -41.03 98.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 9.1 mt -66.16 -52.92 42.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -62.53 -49.5 75.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -58.63 -40.58 83.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -62.3 -53.21 58.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.92 -49.55 77.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 96.9 t -61.26 -35.35 65.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.08 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -69.07 -40.19 78.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -69.91 -35.56 74.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.8 tp . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.918 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.7 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.872 0.368 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -51.38 -43.33 61.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -62.59 -35.3 79.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.38 -53.13 25.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.3 mp -57.13 -50.65 72.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 60.8 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.951 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.843 0.354 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -43.9 79.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -26.63 9.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -69.68 -69.75 0.33 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 92.2 m -48.8 -45.9 40.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.73 -51.18 76.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -61.43 -27.77 68.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.97 -55.37 8.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 21.0 pt -60.89 -36.17 69.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.83 -52.53 35.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -57.88 -52.14 66.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -44.55 92.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 12.1 tp -56.86 -52.62 64.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.41 -57.08 13.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -53.46 -50.06 66.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.5 -30.84 69.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.779 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.5 mt -68.09 -60.54 2.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.9 ptpm? -53.79 -42.64 68.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 96.3 t -63.09 -48.91 85.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 97.1 m -60.46 -32.32 71.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -70.44 -55.98 7.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -19.81 65.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.801 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 5.6 m -79.83 -48.55 13.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.5 t -69.56 -24.9 63.77 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.215 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 179.952 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.849 0.356 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 63.77 41.97 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.1 t -109.76 156.97 19.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -52.42 -49.96 63.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.75 -51.64 54.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 -179.877 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.01 -41.4 96.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.3 t -61.41 -54.39 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.07 -52.08 51.52 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.59 -43.15 94.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.551 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.31 -49.3 74.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.737 0.303 . . . . 0.0 110.834 -179.889 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.1 mm -54.12 -44.45 63.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.167 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.1 p -64.93 -44.2 90.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.172 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -59.0 -55.19 38.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.4 p -60.06 -35.34 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -60.71 -48.53 81.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.6 t90 -65.42 -42.82 92.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -60.88 -47.73 85.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mt -60.14 -49.66 83.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.0 t -54.62 -58.72 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.059 179.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -54.98 -45.87 75.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.8 ttp -60.55 -31.72 70.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -71.92 -51.21 23.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -67.89 -28.79 67.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -54.97 -40.07 69.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.79 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.1 mt -54.52 -28.49 45.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 71.0 m -97.83 32.86 2.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t30 62.75 26.81 15.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.81 37.22 61.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.443 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -98.5 103.89 15.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.0 p -55.61 -34.77 65.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -28.39 67.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.1 t -63.04 -29.21 70.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.8 mtp -69.09 -46.03 68.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -100.35 26.26 6.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -76.47 -54.42 6.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.02 26.21 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.814 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.53 -26.51 58.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.81 -32.16 30.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.74 -33.56 8.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.92 -42.82 69.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.054 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -55.28 -26.46 40.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -108.53 26.29 10.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -131.54 25.42 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.39 129.44 55.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.85 22.06 16.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 mt -83.98 154.73 64.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.633 0.73 . . . . 0.0 110.931 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.75 2.3 . . . . 0.0 112.333 179.812 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.3 pttm . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.778 0.323 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.2 mt 70.81 -69.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.05 -50.02 59.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.5 m -54.51 -52.23 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.59 -45.04 97.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.74 -45.49 81.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.848 0.356 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.1 -49.17 75.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -56.56 -56.54 20.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -54.2 -47.19 72.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -54.2 -48.55 70.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -37.5 86.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.775 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -62.62 -64.52 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 pp -54.8 -36.97 65.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -66.8 -36.91 83.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -68.28 -52.05 38.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.99 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.5 ptm -67.81 -30.83 70.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.86 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -38.4 64.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.93 -37.42 79.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.97 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -115.84 89.25 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.6 mt -149.14 177.92 9.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.37 -175.94 5.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.22 -51.19 68.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.91 -47.69 61.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -55.73 -36.48 67.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -53.0 26.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.896 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -52.02 -46.71 65.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -72.38 -36.89 68.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.07 -47.13 75.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.026 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -55.79 -41.04 73.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 84.5 t -70.85 -32.77 49.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.86 -52.12 33.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -34.42 78.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.993 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 34.1 mtp85 -66.04 -52.24 50.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -60.1 -45.05 94.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 24.7 m -57.81 -51.11 70.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.62 -39.27 80.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.0 m -63.86 -56.1 17.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.66 -31.01 70.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 51.6 mt -70.44 -40.32 77.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.6 -38.18 73.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 39.1 mt -67.55 -51.03 55.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.17 -47.84 78.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -60.17 -41.79 93.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -63.46 -47.82 80.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.13 -52.11 66.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.8 m -66.69 -28.34 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.2 -40.3 78.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -75.58 -42.49 51.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 120.895 0.379 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -51.05 -46.49 61.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -57.37 -53.28 59.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.9 mp -51.99 -54.89 24.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.59 -63.68 1.06 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 52.5 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.936 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.847 0.356 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -59.08 -27.55 65.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.69 -26.61 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -69.4 -68.97 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.8 m -48.6 -45.15 37.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.9 mm -62.83 -45.3 99.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -63.61 -30.84 71.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.07 -55.29 8.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 13.4 pt -59.02 -39.55 78.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.75 -46.61 71.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -52.06 66.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.778 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.3 t -61.4 -43.7 98.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 18.5 tp -53.98 -55.53 26.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -58.06 -54.11 50.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -52.86 -41.79 64.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -62.31 -48.61 79.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 72.1 mt -56.32 -45.42 80.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.19 -51.1 70.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 179.803 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 58.6 t -58.58 -44.81 90.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 36.2 m -60.66 -43.35 97.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -61.64 -54.38 43.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -64.6 -25.97 68.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 11.0 t -71.93 -48.74 43.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 8.9 t -68.04 -24.87 65.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.976 179.907 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.839 0.352 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 63.55 28.77 15.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -98.58 170.96 8.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -51.75 -43.84 63.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.099 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -51.47 66.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -39.64 91.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.9 t -63.73 -54.11 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.2 -51.81 53.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.448 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.39 -37.43 94.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.569 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.48 -47.37 76.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.5 mt -62.14 -41.07 89.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 179.856 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.5 p -64.61 -44.47 90.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.05 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -62.04 -55.17 31.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 p -59.73 -34.36 55.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.2 mt -64.26 -48.13 76.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -63.92 -40.79 97.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -62.67 -45.81 91.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.982 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.8 mt -61.8 -46.95 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.3 t -59.14 -46.4 92.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.15 -43.4 82.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -32.22 73.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -72.86 -51.18 19.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.773 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -28.73 66.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.996 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -59.62 -34.66 73.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.7 mt -54.06 -32.2 53.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.4 36.2 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 58.59 26.26 14.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.59 41.53 93.99 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -91.0 107.64 19.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.1 p -56.3 -26.68 53.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.946 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.14 -26.33 61.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.842 179.898 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -66.52 -26.77 67.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.6 mtp -64.76 -41.22 96.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -111.19 27.08 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -79.35 -64.74 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.815 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.0 23.38 13.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.57 26.98 4.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.54 -31.49 12.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.1 -26.59 7.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.6 -33.1 72.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.1 179.785 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -52.16 -30.53 27.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -116.28 30.15 7.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -143.26 30.13 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.792 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.23 -50.7 3.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 56.47 24.78 8.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.845 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.4 mt -81.72 159.25 66.81 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.633 0.73 . . . . 0.0 110.967 179.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.14 0 C-N-CA 122.685 2.257 . . . . 0.0 112.286 179.901 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.756 0.312 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.1 mt 70.91 -69.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 t -51.52 -50.2 60.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.9 t -56.19 -52.33 64.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.46 -45.91 94.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 20.8 mt -55.47 -50.33 70.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 -179.836 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -49.01 79.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.866 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -51.69 64.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -57.95 -46.44 85.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.91 -179.81 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -54.63 -47.38 73.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 p -64.34 -39.08 93.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -60.59 -64.04 1.09 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 pp -54.86 -40.76 70.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.23 -34.05 77.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -70.39 -52.06 25.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.986 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 8.4 ptm -68.76 -26.0 65.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.916 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -65.1 -30.37 71.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -59.94 -40.65 89.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -120.55 93.64 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.1 mt -147.63 178.03 8.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -78.64 -176.04 4.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -63.15 -51.17 67.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -71.22 -47.58 56.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm -55.72 -37.86 68.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -69.98 -49.5 50.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.815 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.45 -48.06 66.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.913 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -72.28 -37.47 69.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.86 -45.13 74.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.846 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -55.67 -49.7 72.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.1 t -60.81 -40.29 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.139 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.49 -49.57 76.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.0 tm0? -58.8 -51.31 70.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -53.8 -53.33 53.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -54.2 -45.97 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.5 m -56.52 -51.08 69.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -63.07 -28.46 70.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 96.8 m -69.61 -56.5 7.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.109 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 pp -62.72 -34.93 78.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 80.0 mt -69.99 -42.15 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -65.42 -42.23 92.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 43.1 mt -65.98 -50.62 68.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -63.61 -49.62 72.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -59.41 -39.41 83.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -64.23 -49.43 71.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -57.89 -52.14 66.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.3 m -65.13 -30.45 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -43.44 83.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.87 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -76.98 -30.12 55.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.229 0.013 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -51.05 -40.55 58.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.23 77.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 14.9 mt -56.97 -50.24 73.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.35 -62.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 42.6 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.036 -179.978 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 10.8 tp . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -54.43 -28.42 43.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.75 -26.37 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -69.75 -68.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.6 m -48.58 -45.69 38.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.8 mm -61.77 -50.15 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.235 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -62.25 -27.97 69.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -55.34 8.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 18.9 pt -60.54 -37.08 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.4 -51.34 53.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -56.21 -50.65 70.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 23.0 p -59.91 -46.6 88.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.8 tp -53.38 -55.04 28.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.21 -55.06 37.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -53.08 -41.85 65.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -60.02 -51.65 68.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.3 mp -55.43 -49.84 71.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -55.3 -50.41 69.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 82.3 t -60.94 -49.36 85.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.053 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 95.6 m -51.45 -47.58 63.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 -179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 9.4 tp -68.51 -35.64 77.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.988 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -65.96 -29.73 70.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 47.6 t -82.48 -52.13 7.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.779 -179.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.8 t -61.4 -18.24 57.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 -179.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.954 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.8 t . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.915 0.388 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 63.68 54.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.7 t -114.77 159.77 20.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.0 p -51.21 -43.73 61.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.18 -51.75 66.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.813 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.32 -42.63 96.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.3 t -62.21 -54.26 36.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.82 -52.39 42.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.46 -38.68 96.17 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.507 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.5 tt -64.89 -42.81 94.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.767 0.317 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.4 -41.59 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.02 0.438 . . . . 0.0 111.165 179.834 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.3 p -63.86 -46.87 83.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.049 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -62.29 -55.21 30.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.31 -32.77 49.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.64 -48.44 72.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.1 t90 -63.36 -42.45 98.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.76 -49.14 77.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 37.2 mt -58.46 -46.36 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.7 t -58.62 -46.9 90.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -42.0 90.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.9 ttt -66.99 -32.04 73.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -51.03 22.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -28.93 65.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.93 -35.58 61.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.5 mp -57.02 -27.08 61.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.61 27.79 8.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.1 t30 63.21 37.95 10.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.11 42.29 54.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -99.0 112.29 24.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.68 -27.32 39.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.01 -26.39 67.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.826 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.78 -28.13 36.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.4 mmm -72.74 -29.2 63.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -118.24 28.42 8.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -89.93 -63.87 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.52 24.19 13.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.94 -25.83 43.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.06 -24.75 47.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 pp -102.48 -26.01 13.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.68 -30.78 23.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.155 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -27.29 37.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -112.75 25.59 11.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -147.18 24.68 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.83 -62.19 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.68 19.21 7.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.41 161.02 55.58 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.648 0.737 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.834 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.813 0.339 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.7 mt 70.97 -69.16 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.32 -50.21 59.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 -179.906 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -56.33 -52.65 63.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.86 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.3 -50.93 62.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.0 mp -51.86 -46.98 64.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.343 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -49.15 78.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.003 179.805 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -53.33 59.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -54.25 -50.17 67.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -54.29 -45.07 72.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 p -62.2 -39.73 93.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -63.46 -63.85 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.8 pp -51.77 -38.53 55.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -67.63 -37.27 82.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -66.39 -44.47 82.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 -179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.5 ttp -74.92 -30.96 61.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -60.64 -25.94 66.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -35.33 76.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -130.03 98.53 4.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.8 mt -148.9 173.78 12.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -68.03 -176.18 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -62.23 -51.16 68.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -75.96 -43.93 42.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.9 mmtm -55.86 -36.85 68.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -53.08 23.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -52.03 -45.95 64.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -72.52 -39.13 67.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.9 -44.0 73.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.069 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 25.9 ttt85 -55.84 -49.36 73.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 73.3 t -61.68 -43.19 96.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.64 -47.23 86.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.72 -50.84 71.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -53.09 57.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -54.26 44.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.7 m -54.42 -48.66 71.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.133 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -54.58 -45.88 73.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 57.4 m -61.25 -56.07 24.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.75 -51.74 59.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 56.5 mt -61.15 -33.77 57.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -48.07 75.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 44.3 mt -65.66 -46.7 88.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -63.72 -50.01 70.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -59.29 -40.11 85.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -63.56 -48.93 75.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -58.23 -52.14 66.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.5 p -65.38 -30.9 51.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -65.96 -43.81 86.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -79.33 -26.77 42.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.803 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 15.0 tp . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 -179.997 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.458 -0.039 0 CA-C-O 120.946 0.403 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -49.97 -44.59 50.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.33 -36.01 76.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.045 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 34.4 mt -67.76 -54.72 17.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.6 mp -54.56 -53.76 50.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.95 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 47.2 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.939 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.815 0.34 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -24.85 46.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -48.79 -26.53 2.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -69.54 -68.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.3 m -48.39 -36.98 15.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.214 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 34.2 mm -67.42 -53.05 35.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.28 -25.04 67.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -72.76 -55.19 7.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.3 pt -63.46 -36.08 74.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.61 -52.39 38.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.812 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -57.06 -46.68 82.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 179.838 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.9 t -60.48 -47.52 85.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.5 tp -54.93 -56.33 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -53.39 -50.93 64.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 181' ' ' LYS . 0.1 OUTLIER -59.97 -33.94 72.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.956 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -73.12 -29.25 62.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 8.7 mt -74.48 -50.39 18.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -60.38 -45.19 94.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.847 179.863 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 33.4 m -66.87 -39.3 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 6.2 m -63.62 -43.7 96.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -71.43 -36.2 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 18.1 ttt85 -68.9 -40.66 79.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.04 -52.14 21.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.797 -179.74 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.1 t -58.46 -23.27 57.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.073 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 -179.975 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.837 0.351 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 63.46 46.1 4.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.2 p -119.82 166.22 13.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.253 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.2 p -51.66 -41.26 61.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.17 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -61.38 -51.67 67.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -38.8 90.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.16 -54.18 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.27 -51.94 55.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.43 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.02 -40.91 94.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.47 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.33 -48.19 76.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.727 0.299 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.3 mm -57.19 -42.49 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.0 p -64.82 -45.57 85.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -62.0 -55.23 31.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.885 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.5 p -59.49 -34.05 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.0 mt -64.17 -48.53 75.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.2 t90 -63.46 -41.32 98.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.79 -45.86 92.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.2 mt -61.53 -46.33 96.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.0 t -59.57 -44.66 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.08 -41.91 76.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.7 ttt -66.82 -31.82 72.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -74.65 -50.24 18.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -28.87 66.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -54.04 -35.62 62.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.2 mt -56.1 -30.43 62.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.7 m -96.52 28.8 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 61.02 30.7 19.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.73 44.0 98.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.616 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -100.74 108.92 20.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.8 t -54.98 -27.73 46.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -35.58 81.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.35 -36.27 81.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.8 mtp -57.89 -45.24 86.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -103.14 25.89 8.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -86.01 -66.08 0.94 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.07 26.5 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -97.85 28.74 3.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.18 -25.37 14.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.01 -40.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.2 -40.04 70.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -64.56 -31.68 73.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -108.19 35.31 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.975 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -152.38 26.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.4 132.4 33.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.5 -14.0 18.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.855 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mp -63.82 160.54 44.87 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.649 0.738 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.214 0 C-N-CA 122.634 2.223 . . . . 0.0 112.357 179.921 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.2 mttt . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.724 0.297 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mt 71.0 -69.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.87 -50.09 57.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.5 t -54.31 -52.32 61.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -179.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.8 -44.76 96.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 20.5 mt -56.56 -49.05 75.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.367 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -48.97 79.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.896 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.78 -50.71 69.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -58.98 -47.32 85.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.782 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -54.34 -47.19 72.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.8 m -64.34 -39.53 94.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.819 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -60.23 -64.46 0.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.898 -179.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 pp -54.86 -42.6 72.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.948 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.13 -34.41 76.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.968 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -69.83 -51.98 28.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 -179.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.5 ptt? -67.28 -26.91 66.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -32.92 72.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -59.99 -42.32 93.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -112.34 88.79 2.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.983 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.6 mt -149.04 177.65 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -175.92 5.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.99 179.816 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.14 -51.19 68.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.863 179.825 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -68.49 -49.55 58.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -55.6 -40.89 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -67.0 -49.8 64.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -49.8 62.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -71.67 -35.68 70.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.83 -48.08 73.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.072 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -55.53 -43.26 75.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.62 -35.6 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.07 -51.05 59.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -62.17 -40.42 95.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -62.49 -53.21 58.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.5 -47.02 76.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.0 m -58.87 -47.8 83.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.104 -179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -60.81 -33.17 72.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.813 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.2 m -68.68 -56.28 8.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.96 -32.76 71.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 66.6 mt -70.86 -45.45 73.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.067 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -64.29 -36.87 85.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.795 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 13.1 mt -69.25 -52.47 32.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.156 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -64.23 -44.25 92.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.784 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -43.27 98.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -63.86 -43.03 97.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -52.04 65.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.3 m -66.53 -30.35 49.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -68.57 -42.46 78.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -77.71 -29.94 51.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.84 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 28.8 tp . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 -179.961 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.886 0.375 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -51.32 -47.18 62.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.29 -54.03 50.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.2 mp -51.72 -53.41 39.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.96 -64.2 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.9 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 179.953 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.805 0.336 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -64.77 -42.26 95.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.91 -26.46 5.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.055 -179.842 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -69.08 0.36 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.6 m -48.52 -45.16 36.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.196 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.4 mm -62.72 -46.05 97.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.246 179.834 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.77 -31.95 73.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -55.11 10.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.5 pt -60.3 -35.98 65.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.177 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.41 -54.93 16.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -54.75 -47.62 73.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.3 t -61.83 -45.09 95.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.783 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 12.3 tp -54.86 -57.92 9.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -55.4 -53.02 61.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -52.79 -49.32 65.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -60.83 -35.13 75.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.81 -179.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.67 -61.12 2.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -54.06 -45.62 71.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.818 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.1 -52.84 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 87.3 m -55.22 -36.15 65.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.178 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -67.2 -55.99 11.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.54 -22.83 67.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 6.7 m -77.11 -48.03 18.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.7 t -71.21 -24.7 62.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.196 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 40.6 mtp85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 180.0 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.6 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.864 0.364 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 63.53 27.4 15.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 p -99.08 172.81 7.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.3 p -51.65 -43.27 62.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.42 -51.55 67.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.776 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -61.1 -39.28 89.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.9 t -64.69 -53.46 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.256 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.87 -52.15 50.61 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.43 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.29 -37.84 95.5 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 tt -68.09 -35.78 78.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.8 mt -68.92 -48.66 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.1 t -63.97 -38.82 92.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -65.73 -55.25 18.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.0 p -60.86 -32.99 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.6 mt -66.12 -48.6 70.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -62.83 -42.69 99.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.56 -47.78 83.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.8 mt -58.82 -48.33 86.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.7 t -56.55 -52.81 48.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.093 179.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -56.69 -46.73 81.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -31.92 73.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -67.53 -51.31 52.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.2 pttt -72.22 -28.64 63.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -53.95 -34.24 59.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 mp -60.93 -28.22 68.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.6 m -96.51 27.2 3.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 61.97 28.09 17.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.38 45.06 96.71 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.519 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -100.31 112.12 24.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.84 0.353 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 p -54.84 -28.7 51.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 -179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -63.26 -40.02 96.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -36.72 79.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.9 mtp -59.11 -30.77 68.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -120.05 26.01 9.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -86.55 -61.98 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.71 23.5 13.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -99.39 32.5 2.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.14 -26.42 7.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.065 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.32 -40.77 4.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.62 -32.1 64.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.131 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.11 -27.28 66.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -121.05 27.55 8.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -145.29 26.12 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.47 156.19 21.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.52 -24.58 8.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.777 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.11 160.52 47.57 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.634 0.731 . . . . 0.0 110.951 179.832 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.618 2.212 . . . . 0.0 112.4 179.901 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.4 mttt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.71 0.29 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 79.0 mt -110.4 -22.38 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 83.3 p -63.37 -50.07 71.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.0 m -56.65 -52.0 66.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.52 -51.81 56.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.522 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 57.1 mt -59.31 -47.39 85.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.76 -49.0 79.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.859 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -55.06 -50.35 69.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -57.41 -48.29 79.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -54.1 -46.87 72.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.6 p -63.41 -40.16 96.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.824 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -60.88 -64.46 0.95 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.0 pp -53.66 -40.04 65.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.69 -38.63 91.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -68.77 -42.46 77.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.8 ttt -70.8 -37.89 73.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -25.9 66.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.976 179.871 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -60.88 -39.01 87.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -131.8 99.45 4.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.8 mt -148.29 171.21 16.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -68.82 -176.0 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.59 -51.03 68.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -74.29 -45.2 49.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -56.0 -38.18 70.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -67.75 -51.1 53.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.851 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -53.33 -48.25 68.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -70.54 -39.36 74.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.9 -44.51 74.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.074 179.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -55.67 -49.45 72.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 77.3 t -61.36 -43.16 96.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.58 -49.88 73.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -60.87 -50.04 75.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.95 -53.12 57.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.895 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.17 -55.0 36.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.5 m -53.32 -50.55 64.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.067 -179.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.69 -41.83 70.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 31.1 m -61.94 -53.75 51.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.4 -52.24 66.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 86.2 mt -54.5 -41.88 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -63.1 -46.94 84.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 41.4 mt -62.07 -53.08 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.99 -41.52 96.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -59.84 -46.62 88.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -62.42 -49.98 73.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.63 -51.99 67.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.995 -179.884 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.6 t -63.03 -31.48 52.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -41.56 77.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.28 -39.12 71.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 179.972 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.949 0.404 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -51.75 -44.67 63.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.99 -40.88 95.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.09 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 28.0 mt -62.68 -56.11 20.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.47 -56.61 17.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 80.8 p . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.045 179.967 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.785 0.326 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.07 -26.12 59.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.82 -26.44 5.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -69.63 -69.02 0.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.847 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.1 m -48.37 -45.58 35.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.9 mm -62.36 -47.58 92.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.204 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -60.84 -30.73 70.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.811 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -71.56 -55.31 8.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 16.2 pt -60.46 -37.79 75.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.177 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.44 -58.58 4.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.825 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -56.98 -41.66 78.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.784 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 72.4 m -62.19 -46.99 86.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.2 tp -58.35 -58.15 9.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.37 -46.99 66.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -59.59 -41.19 89.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 -179.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -66.87 -31.56 72.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 5.2 mp -70.78 -52.16 22.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -59.13 -46.07 89.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.39 -35.29 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.3 m -63.12 -46.61 86.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 9.3 tp -72.09 -36.06 69.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -67.54 -31.36 71.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.07 -49.68 9.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 7.0 t -62.75 -19.19 63.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.135 -179.88 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 49.1 mtm180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.948 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.84 0.353 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 60.65 38.7 18.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.9 p -112.71 167.64 10.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.72 -36.15 34.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.915 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.25 -43.34 74.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.743 -179.786 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -62.69 -50.93 69.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.982 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.9 m -60.73 -43.23 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.2 -53.14 48.82 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.35 -39.31 97.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.39 -179.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.9 tt -65.33 -45.23 85.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.338 . . . . 0.0 110.945 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.8 mm -59.32 -41.8 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.772 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.8 p -66.3 -44.92 82.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -57.89 -55.24 37.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.43 -38.38 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.05 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.82 -49.07 76.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -65.65 -43.82 88.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.969 179.851 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.11 -43.51 95.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.1 mt -63.0 -46.89 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.6 t -58.53 -41.85 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -72.84 -42.98 63.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 -179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.4 ttt -65.37 -31.52 72.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -77.11 -51.19 11.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.21 -28.6 68.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -55.02 -40.82 70.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.1 mt -53.96 -29.38 42.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.9 m -96.04 31.69 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.785 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.4 t30 59.31 26.53 15.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.72 43.49 98.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.524 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -98.76 117.33 32.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -26.82 63.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.827 -179.87 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -35.99 82.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -26.49 67.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.3 mtp -65.85 -38.48 88.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.859 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -113.13 29.36 8.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -86.98 -50.83 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.99 23.17 14.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -99.52 32.0 2.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.99 -26.18 6.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.162 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.23 -38.77 2.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.65 -31.96 66.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -54.17 -28.36 39.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -126.6 40.76 3.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -153.18 27.0 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.58 135.65 33.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -72.6 -26.05 61.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 mt -80.1 154.99 75.08 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.713 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.158 0 C-N-CA 122.679 2.253 . . . . 0.0 112.388 179.835 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.8 mttp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.751 0.31 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 69.1 mt -113.47 -25.59 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.211 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.55 -50.13 66.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.9 t -57.19 -48.52 78.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.13 -52.09 54.86 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 16.7 mt -61.18 -54.51 43.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 0.0 110.937 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.6 -48.18 75.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.973 179.862 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -54.05 -55.14 30.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -54.11 -45.67 71.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -56.95 -43.26 81.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -38.68 89.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.822 -179.794 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -62.1 -58.33 8.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.849 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.8 pp -59.33 -37.96 79.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.24 -47.75 84.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -64.66 -45.02 88.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 13.3 ttp -66.91 -26.13 66.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -69.47 -28.61 66.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.37 -29.22 70.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -132.45 94.51 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.5 mt -148.95 173.96 12.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.13 -179.04 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.858 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.39 -51.05 70.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 179.928 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -76.1 -43.64 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -55.73 -36.3 67.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.798 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -71.35 -50.55 31.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.71 -47.67 67.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -71.49 -39.22 71.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.1 -43.79 74.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.045 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -55.35 -49.9 71.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.803 -179.853 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 71.3 t -61.9 -42.31 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.36 -48.8 73.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -65.13 -41.58 94.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.92 -55.47 26.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.03 -38.61 91.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 91.4 m -58.36 -45.37 88.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -68.57 -38.56 80.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.5 m -64.79 -56.24 14.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.1 pp -61.37 -39.4 90.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 21.7 mt -64.6 -38.34 82.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -68.35 -42.25 79.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.7 mt -63.03 -52.09 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -62.14 -43.93 97.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -58.45 -45.3 88.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -54.18 44.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -44.18 72.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.8 t -69.02 -35.22 67.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -64.87 -37.89 89.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.0 -22.1 24.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.782 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 16.7 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.877 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.835 0.35 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -51.51 -51.1 58.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -51.51 -50.95 58.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.18 179.856 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.6 mp -55.61 -49.06 73.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.44 -63.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.989 179.895 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 54.2 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.181 179.917 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.786 0.327 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 18.6 ttt85 -81.7 -55.13 4.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.8 -26.72 10.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -69.43 -69.89 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.809 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 95.4 m -48.98 -44.96 41.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.093 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.82 -49.67 83.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.161 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -59.72 -31.53 69.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -55.24 10.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 20.0 pt -62.18 -35.86 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.38 -49.36 64.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -59.59 -52.09 67.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -38.78 88.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 12.1 tp -59.29 -57.98 10.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.03 -52.47 65.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -54.6 -50.43 68.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -61.9 -32.74 73.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.813 -179.913 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.9 -59.79 3.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -55.72 -44.95 77.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 80.1 t -59.52 -44.78 93.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.878 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 84.5 m -61.11 -46.89 88.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -58.45 -53.12 61.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -63.46 -33.95 76.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 29.1 t -64.21 -51.6 62.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.3 t -66.86 -20.41 65.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 -179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.965 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.4 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.789 0.328 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 63.52 29.36 15.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.35 161.07 13.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.144 179.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.5 p -51.61 -48.22 63.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.7 m -52.18 -51.44 58.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 -179.797 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -42.03 98.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.7 t -60.64 -54.08 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.13 -51.95 54.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.97 -40.46 93.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -48.2 77.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.798 0.332 . . . . 0.0 110.858 -179.862 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.4 mt -57.98 -42.83 83.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.0 p -63.73 -45.15 91.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.176 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -58.11 -55.21 37.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.2 p -60.18 -34.62 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -48.72 80.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -65.69 -43.74 88.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -59.36 -44.92 92.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.6 mt -63.35 -50.26 79.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -53.27 -54.84 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -58.82 -43.8 90.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.6 ttt -63.24 -31.77 73.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -71.09 -50.99 27.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -69.42 -28.52 66.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -58.21 -29.89 66.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.985 179.878 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.8 mt -59.19 -35.06 72.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.2 m -96.1 35.14 1.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.9 t30 62.71 26.2 15.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.33 42.54 90.06 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -97.67 118.75 34.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.4 p -61.7 -29.6 70.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.56 -35.21 79.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.58 -26.68 66.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 21.8 mtp -62.53 -38.27 89.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -116.13 28.7 8.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -90.11 -62.8 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.58 26.76 4.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -104.57 26.87 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.93 -30.61 6.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.33 -31.45 8.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.27 -28.52 69.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.823 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -61.72 -30.97 71.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -104.83 26.43 9.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.968 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -141.26 26.2 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -116.44 123.96 48.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -115.53 26.47 10.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mp -83.97 160.55 57.72 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.67 0.748 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.193 0 C-N-CA 122.734 2.289 . . . . 0.0 112.316 179.847 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 mptt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.737 0.303 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.9 mt 71.22 -68.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.14 179.848 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.4 m -50.69 -50.26 55.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.97 -52.45 63.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.791 -179.821 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.88 -45.02 95.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.417 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 20.7 mt -56.5 -46.83 80.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.362 . . . . 0.0 110.929 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -49.26 78.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.972 179.811 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.61 -55.92 27.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -55.22 -46.13 75.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.818 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -54.13 -48.0 71.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.72 -39.75 95.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.767 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -60.15 -64.27 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 pp -55.11 -36.97 66.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -35.3 80.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -70.54 -52.01 24.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.024 -179.902 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -66.71 -27.92 68.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.931 179.814 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -64.28 -29.16 70.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.96 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -59.9 -40.25 88.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -125.74 96.94 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.0 mt -146.66 177.97 8.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -77.85 -176.01 4.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -62.7 -51.37 67.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.836 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.66 -48.04 50.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.771 -179.859 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -55.69 -34.49 65.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -68.52 -45.17 72.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.15 -46.18 90.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.825 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -72.07 -32.08 66.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.75 88.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.07 179.844 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -61.99 -49.37 76.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.19 -32.24 56.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.0 mp -65.15 -51.81 58.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -64.69 -39.85 94.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -61.03 -52.04 66.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -58.66 -47.77 83.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 15.4 m -54.99 -51.04 67.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.159 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.6 -36.16 75.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 12.3 m -63.9 -56.17 17.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.84 -31.07 71.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 63.1 mt -70.97 -39.16 74.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -38.2 71.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.4 mt -68.87 -48.54 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.186 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -65.68 -45.17 83.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -64.16 -40.64 96.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.87 -179.8 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -63.68 -51.76 63.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.07 -51.93 67.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.871 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.6 t -60.86 -50.18 81.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.179 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -52.03 -45.13 64.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -69.72 -34.69 74.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.834 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.977 0.417 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -51.61 -50.9 59.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -58.92 -42.88 90.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.5 mp -56.97 -62.08 1.99 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 7.9 mt -52.01 -55.11 22.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 40.7 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.972 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.781 0.324 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -54.25 -32.19 55.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -26.74 6.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -69.3 -69.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.7 m -48.44 -44.94 35.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.9 mm -63.25 -45.18 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -63.43 -31.25 72.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.982 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -55.4 8.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.817 -179.868 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 13.3 pt -59.15 -39.29 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 9.1 mt -67.67 -47.02 70.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -50.85 70.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.762 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.79 -45.73 92.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.848 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 16.0 tp -52.85 -52.89 55.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -59.67 -52.42 65.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -53.0 -48.11 67.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -65.28 -32.88 74.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.841 -179.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -64.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.942 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -42.86 79.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.905 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 25.1 t -61.94 -52.64 58.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 37.5 m -55.48 -39.46 70.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -64.23 -56.14 16.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -62.75 -24.31 67.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.879 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 38.4 t -74.24 -47.22 36.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.0 t -70.44 -25.04 63.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.134 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.956 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.2 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.928 0.394 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 60.12 24.21 13.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.953 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 p -103.35 172.9 6.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.213 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.76 -35.0 41.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.177 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.57 -45.31 72.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.871 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.83 -51.33 69.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.7 m -61.29 -41.88 91.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.1 -52.47 53.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.47 -37.93 95.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.507 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 tt -65.96 -38.75 89.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.766 0.317 . . . . 0.0 110.837 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.7 mm -67.05 -42.59 88.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.089 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.6 p -65.05 -47.9 75.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.219 179.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -61.39 -55.07 35.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.7 p -59.18 -33.48 50.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.2 mt -63.98 -48.33 76.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -64.66 -41.61 95.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -62.75 -45.28 93.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.5 mt -62.28 -44.11 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.4 t -60.98 -45.24 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 179.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -69.63 -44.1 71.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.1 ttp -65.27 -31.84 73.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -74.29 -51.12 16.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.53 -28.7 67.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -59.95 -35.0 74.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.8 mt -53.87 -31.92 51.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.54 31.1 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.6 27.91 17.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.973 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.7 44.09 98.02 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -87.04 105.99 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 p -54.98 -27.95 47.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.886 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -34.99 41.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 49.2 t -62.1 -25.96 68.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.7 mtp -67.57 -34.81 77.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -125.55 35.6 4.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -84.71 -74.24 0.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -108.34 39.11 2.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.72 25.68 4.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.0 -31.75 14.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.57 -28.78 5.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.75 -33.27 66.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 179.802 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -64.34 -24.74 67.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -109.59 27.98 9.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -135.62 20.11 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -93.88 -38.57 11.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.11 20.99 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.793 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mp -84.2 160.73 56.74 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.625 0.726 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.197 0 C-N-CA 122.589 2.193 . . . . 0.0 112.332 179.883 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.817 0.341 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.9 mt 72.29 -63.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.188 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.6 p -50.36 -47.96 55.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 98.1 p -56.11 -52.52 64.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.906 -179.818 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.95 -51.19 59.7 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.438 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 mp -51.95 -49.98 62.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.93 -49.33 75.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.951 179.841 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.13 -48.98 67.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -58.69 -46.86 86.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -54.34 -46.24 72.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.801 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -39.22 93.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.749 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -59.35 -63.77 1.18 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.4 pp -53.65 -43.62 68.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -55.88 -43.61 77.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -64.84 -42.24 95.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.843 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.81 -37.06 83.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.88 179.895 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.413 ' HG3' ' HB2' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -51.3 -40.06 58.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.66 -26.7 64.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -134.92 92.07 2.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.9 mt -149.42 154.06 38.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.005 179.883 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -65.82 -177.85 0.51 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.955 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.9 -51.25 67.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -70.84 -45.49 64.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -55.62 -45.79 77.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -47.53 84.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.07 -50.55 66.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 179.786 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -68.25 -36.98 80.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.413 ' HB2' ' HG3' ' A' ' 107' ' ' LYS . . . -55.1 -49.09 72.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.851 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -52.82 -37.04 59.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 88.4 t -72.81 -37.79 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.4 mp -66.38 -51.11 60.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -63.17 -45.24 92.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -56.43 -52.21 65.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -57.87 -55.02 40.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.794 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.6 m -55.64 -44.51 77.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.27 -53.53 52.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 98.2 m -62.49 -36.56 82.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.067 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -51.94 64.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.993 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 7.5 mt -61.01 -38.43 79.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.23 179.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -46.24 89.17 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 179.848 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 19.1 mt -63.29 -53.48 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.18 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -59.69 -50.3 74.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -57.9 -38.7 76.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -63.55 -50.15 70.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -52.19 66.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.791 -179.858 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.4 m -64.9 -30.01 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -69.06 -38.74 79.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.891 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.25 -39.43 59.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.829 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -52.03 -51.02 60.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.72 -42.14 67.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.97 -54.16 45.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.8 -58.26 6.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 179.834 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.789 0.328 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -81.32 -18.14 46.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.965 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 4.5 m -50.68 -26.49 5.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -69.72 -69.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 90.5 m -48.46 -44.28 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.2 mm -63.7 -46.89 93.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -62.44 -31.27 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -70.78 -55.26 8.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.6 pt -60.03 -36.78 69.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.149 179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.45 -53.44 28.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -56.82 -44.97 82.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.823 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.5 t -63.94 -41.93 97.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.0 tp -58.95 -49.29 78.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -61.81 -57.44 11.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -49.24 68.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.863 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -61.39 -41.48 97.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 27.7 tp -56.74 -48.67 77.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.949 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -64.22 -45.99 85.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.962 179.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.76 -35.9 70.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.052 179.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 60.5 m -71.59 -41.86 68.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.79 -41.28 95.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.99 -35.09 62.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 94.5 p -65.53 -52.03 55.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 -179.734 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.8 t -67.18 -22.92 65.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.973 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.3 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.765 0.317 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 63.82 24.89 13.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -87.93 165.66 15.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -51.59 -45.97 63.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.84 -51.33 57.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.774 -179.766 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -36.32 79.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.9 t -63.54 -54.16 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.164 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.37 -51.83 56.81 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.16 -42.95 95.51 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.463 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -50.79 68.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.77 0.319 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.6 mm -53.98 -44.63 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.1 p -64.73 -42.37 95.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -59.0 -55.36 36.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.06 -36.4 72.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.72 -48.2 82.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -66.38 -41.17 89.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.965 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -61.59 -42.67 99.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 32.9 mt -66.08 -49.01 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.92 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.0 t -55.84 -49.48 74.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.1 -41.13 95.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -31.93 73.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -73.37 -51.24 18.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -28.81 67.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -59.9 -34.6 73.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.0 mt -53.95 -36.17 62.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 57.2 m -96.27 37.24 1.26 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 61.94 26.64 16.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.37 24.39 76.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -79.93 108.5 13.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m -56.1 -33.53 65.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.81 -179.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -58.53 -30.18 66.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.7 t -66.55 -32.08 73.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 33.7 mtp -66.5 -28.7 68.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.783 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -121.08 27.7 8.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.92 0.39 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -83.2 -61.41 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -100.12 32.88 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.02 27.59 3.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.75 -26.76 8.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 179.858 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.82 -34.19 3.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.85 -39.18 58.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.043 179.834 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -55.65 -30.95 61.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -103.41 26.3 8.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -140.43 26.12 2.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.02 129.24 55.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.74 25.9 5.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.837 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 mt -83.86 155.01 64.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.543 0.687 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.15 0 C-N-CA 122.643 2.229 . . . . 0.0 112.308 179.877 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.1 mttt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.747 0.308 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.3 mt 71.07 -69.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.5 t -50.7 -45.73 58.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.6 p -54.02 -52.27 61.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.844 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.44 -46.01 91.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.4 mt -54.28 -48.98 70.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.364 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -49.11 75.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.84 -50.93 69.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -58.74 -47.75 83.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -54.33 -45.05 72.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.15 -36.84 82.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.827 -179.762 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -63.78 -60.21 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 pp -57.32 -47.16 82.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.87 -45.74 78.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.893 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -61.52 -48.61 80.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.983 -179.84 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.9 ttt -63.94 -29.39 70.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.94 179.833 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -27.31 68.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -60.07 -41.82 93.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -127.98 97.71 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.8 mt -149.16 178.11 9.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.988 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -82.12 -178.2 6.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 179.854 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -61.39 -51.47 68.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.862 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -68.19 -50.6 53.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.78 -39.81 68.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -49.75 59.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.817 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -51.82 -46.37 64.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -76.09 -31.91 58.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.84 -44.58 90.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -55.81 -49.4 73.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 89.0 t -62.09 -42.95 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -48.01 83.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.98 179.903 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -51.12 71.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -53.8 -51.92 61.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -55.89 -47.29 77.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 11.3 m -54.46 -51.28 65.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.63 -33.02 74.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.4 m -69.54 -56.24 7.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.122 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.2 pp -60.48 -33.8 73.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 67.9 mt -70.02 -44.67 78.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.78 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -62.54 -48.37 79.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.4 mt -62.25 -48.65 87.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -63.77 -39.93 95.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -60.32 -47.44 86.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -63.86 -50.55 68.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.12 -50.26 74.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.58 -33.53 63.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -65.41 -43.21 91.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -82.73 -20.13 36.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.79 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 179.99 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.909 0.385 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -51.39 -49.1 62.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.08 79.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 21.5 mt -56.66 -53.39 58.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -54.5 -62.65 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.996 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 65.9 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.828 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.788 0.328 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -67.86 -25.81 65.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.57 -26.66 5.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.112 -179.91 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -69.0 -69.06 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 93.8 m -48.54 -44.82 36.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.172 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.2 mm -62.66 -44.88 99.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.174 179.849 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -34.22 75.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -54.94 12.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.837 -179.876 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 22.0 pt -60.1 -35.75 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 18.1 mt -67.18 -52.97 34.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -56.37 -47.2 79.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.795 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.87 -47.92 84.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.4 tp -54.3 -52.2 62.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -57.09 -57.13 13.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -52.87 -46.52 67.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -54.88 -53.05 60.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.796 -179.832 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.23 -42.89 74.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -57.85 -60.34 3.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.875 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.23 -31.81 49.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.162 179.87 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 55.1 m -62.61 -45.11 94.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.6 tp -71.78 -44.97 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -22.67 66.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 37.8 t -82.59 -51.64 7.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 7.5 t -56.28 -28.58 59.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 -179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.808 -179.943 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.7 t . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.804 0.335 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 63.84 28.01 14.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.971 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.28 169.94 10.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 -179.908 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.5 p -51.74 -44.43 63.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.177 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.4 -51.46 58.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -61.19 -40.64 94.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.5 t -61.6 -54.3 36.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.93 -51.91 54.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.37 -38.46 93.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.69 -37.85 85.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.7 0.286 . . . . 0.0 110.832 -179.873 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.8 -51.24 64.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 t -61.87 -38.36 88.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -66.47 -55.59 14.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.8 p -61.23 -32.53 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 mt -66.62 -48.55 69.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.4 t90 -63.29 -41.11 98.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.958 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -62.56 -48.7 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.3 mt -59.07 -46.79 91.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.047 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.2 t -57.53 -54.74 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -56.78 -44.25 81.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -31.88 73.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -51.21 52.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.2 pttt -70.24 -28.63 65.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.47 -35.99 66.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.7 mt -61.22 -30.13 70.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 79.6 m -96.04 34.2 1.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 62.63 27.75 16.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.36 37.23 93.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.472 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -97.49 124.62 41.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -29.57 69.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.827 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.9 -41.28 77.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.32 -34.41 68.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.0 mtp -62.69 -29.05 70.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -119.82 27.16 8.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -97.24 -64.01 1.08 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.12 21.61 7.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -97.53 26.56 4.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.53 -29.69 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.73 -36.86 5.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.29 -39.3 63.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.788 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -59.79 -26.11 65.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -106.5 26.06 10.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -142.16 25.75 1.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.6 mt -118.51 132.8 56.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.14 23.37 12.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.854 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mt -83.99 154.64 64.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.142 0 C-N-CA 122.718 2.278 . . . . 0.0 112.334 179.826 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.0 mptt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.856 0.36 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.1 mt 70.79 -69.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 t -50.89 -49.59 59.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.812 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -53.96 -52.38 60.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.89 -46.01 95.0 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 16.7 mt -54.01 -49.01 69.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.809 0.338 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.1 mt -62.13 -49.11 77.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.54 -51.9 66.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -56.83 -49.43 75.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.002 -179.892 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -54.13 -45.53 71.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.85 -39.58 94.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.797 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -64.35 -64.45 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.2 pp -51.67 -42.07 61.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.822 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.23 -39.13 93.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.805 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -63.73 -45.51 89.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.767 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 12.9 ptm -73.58 -31.01 63.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.852 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -51.71 -38.73 56.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.93 -44.21 94.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -104.32 84.27 2.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.6 mt -149.18 177.77 9.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -84.7 -176.0 6.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.839 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -51.27 69.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.883 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.54 -50.65 57.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.855 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -55.62 -37.35 68.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -65.95 -53.08 43.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -52.96 -45.14 67.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.817 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -71.34 -37.3 71.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.2 -46.36 79.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.814 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -55.53 -38.27 69.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 85.9 t -72.7 -36.99 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.3 mp -66.44 -51.64 54.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -64.11 -44.16 93.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -59.06 -49.29 78.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -59.23 -47.31 85.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.5 m -55.46 -51.25 67.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 -179.9 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -59.01 -38.52 79.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 89.2 m -63.92 -54.35 36.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.42 -30.69 71.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 48.6 mt -70.92 -40.65 76.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.845 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -70.64 -39.23 73.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 27.3 mt -66.78 -51.6 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -63.32 -48.53 77.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -59.84 -40.48 88.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -63.79 -48.8 75.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.89 -52.14 66.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.837 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.4 m -65.8 -30.41 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.103 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -43.94 85.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -77.43 -30.61 53.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.911 0.386 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -50.75 -49.37 58.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.04 -48.52 75.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.0 mt -54.78 -55.0 34.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.07 -62.53 1.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 67.8 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.969 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.785 0.326 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -65.4 -42.82 92.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.795 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.64 -26.46 5.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.149 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -69.62 -69.03 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 70.8 m -48.5 -46.39 38.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 37.8 mm -60.92 -51.01 78.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -61.81 -27.96 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.52 -55.25 9.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.9 pt -61.1 -36.52 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.35 -49.71 62.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.901 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.4 ttpp -61.02 -48.06 83.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.809 179.84 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.45 -40.18 93.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 12.9 tp -63.37 -49.74 72.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -57.24 13.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -56.71 -36.04 69.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -70.14 -31.79 69.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 28.7 mt -72.22 -45.77 58.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.75 -43.95 87.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.794 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.02 -34.0 61.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 6.1 m -69.09 -48.36 62.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.193 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.32 -31.66 67.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -73.22 -38.44 66.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 6.5 t -73.48 -51.98 15.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.5 t -51.63 -31.49 25.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.873 0.368 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 63.48 24.89 14.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.005 -179.833 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 p -93.01 163.94 13.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.093 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -51.56 -47.0 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 p -52.52 -51.33 60.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.4 tm0? -60.89 -37.47 82.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.3 t -63.69 -54.04 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.07 -51.9 55.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.41 -45.08 94.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.459 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.63 -50.22 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.68 0.276 . . . . 0.0 110.84 -179.861 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mm -54.0 -46.47 65.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 179.878 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.2 p -63.37 -40.66 97.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.082 179.939 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -59.7 -55.55 32.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.42 -38.21 80.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.181 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 mp -57.95 -48.29 80.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -66.52 -42.17 87.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -59.58 -43.03 93.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.2 mt -66.14 -49.74 74.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.914 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.4 t -56.66 -46.66 82.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.153 179.883 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.37 -40.85 94.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.2 ttp -65.31 -31.55 72.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.05 -51.59 15.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.826 -179.913 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -28.69 67.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -59.78 -34.64 73.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 mt -53.92 -38.47 64.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 57.8 m -97.45 37.16 1.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t30 63.23 37.01 11.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.24 44.1 91.57 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.459 179.884 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -100.91 109.34 21.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.744 0.306 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.6 -28.76 70.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.46 -26.14 66.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -26.18 68.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.7 mtp -67.71 -50.64 56.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -96.7 29.68 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.29 -48.57 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.01 23.37 13.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.47 -27.42 31.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.6 -33.23 66.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.92 -26.16 14.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.72 -33.46 48.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.801 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -51.97 -30.18 23.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -117.9 26.03 9.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -140.31 26.06 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 179.877 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.75 -69.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 58.0 24.43 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 179.886 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.4 mp -82.23 160.69 62.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.169 0 C-N-CA 122.644 2.229 . . . . 0.0 112.349 179.905 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.2 mttt . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.706 0.288 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 70.9 mt -78.17 -31.46 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.9 p -61.68 -50.1 73.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.5 t -56.36 -52.04 66.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.05 -50.99 58.5 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 16.1 mt -55.12 -51.36 66.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -49.25 67.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -50.36 70.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -55.14 -46.88 75.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.964 -179.895 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -57.28 -49.21 76.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.772 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.9 p -61.99 -33.05 73.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.753 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -68.21 -64.65 0.82 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 pp -53.04 -36.6 60.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.1 -46.34 74.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.822 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -59.0 -45.13 91.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 13.4 ptm -75.05 -27.22 59.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -67.99 -32.64 73.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.55 -25.53 64.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.34 90.01 2.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.6 mt -145.44 178.0 8.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.86 -175.94 3.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -63.81 -51.08 66.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.877 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -72.27 -46.94 53.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -55.69 -36.65 67.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.865 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -69.89 -44.48 69.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.86 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -49.13 77.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.769 179.936 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -70.28 -41.18 73.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.69 -44.66 73.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.806 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -55.66 -49.66 72.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.86 -39.79 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.2 -50.05 75.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -59.75 -49.26 78.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -52.54 59.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -56.09 -45.99 79.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.5 m -55.68 -51.25 67.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 -179.781 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -60.8 -34.87 75.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 56.8 m -66.24 -56.03 13.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 -179.933 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -31.67 71.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 63.8 mt -71.93 -39.84 67.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.791 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -68.93 -40.4 79.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 87.4 mt -69.14 -47.79 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -65.22 -46.9 78.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -63.52 -40.49 97.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -63.0 -51.22 67.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.03 -52.05 67.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.3 t -59.59 -52.85 56.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 -179.945 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 26.8 tttm -52.26 -44.02 64.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.841 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -66.44 -37.7 85.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.893 179.821 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.949 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.7 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.932 0.396 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -50.69 -49.97 56.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.43 -47.36 76.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 16.1 mt -56.01 -53.82 52.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.842 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.81 -62.73 1.46 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.966 179.843 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 82.7 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.966 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.82 0.343 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -77.43 -29.99 53.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.852 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.57 -26.09 8.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.925 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -70.05 -69.5 0.35 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.8 m -48.72 -43.64 37.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 32.2 mm -63.27 -52.67 55.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -60.43 -26.32 66.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -72.73 -56.72 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 9.5 pt -61.57 -41.77 91.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -65.7 -47.77 74.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.965 179.898 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.11 -48.83 75.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.901 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 20.0 t -60.96 -42.29 97.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.3 tp -56.53 -51.54 68.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -59.47 -55.22 37.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.854 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -53.63 -49.01 68.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -54.26 -50.39 67.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 62.4 mt -57.55 -40.57 79.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.72 -61.77 2.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.816 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 6.4 p -57.25 -38.45 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 60.8 m -58.07 -48.34 80.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.234 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 6.7 tp -67.87 -35.69 78.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.984 179.894 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -29.13 67.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.915 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.7 t -82.33 -50.11 9.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.703 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 6.8 t -61.14 -17.92 55.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.173 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.829 -179.922 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 120.842 0.353 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 63.85 53.02 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.1 p -107.01 162.79 13.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -51.42 -47.49 62.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 -179.94 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.52 -51.53 59.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.85 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -37.04 79.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.6 t -63.41 -54.43 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.18 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.88 -52.26 53.28 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.437 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.86 -43.74 94.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.536 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -48.67 76.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.841 -179.865 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.3 mm -54.49 -43.53 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.151 179.869 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.7 p -65.65 -43.06 90.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.071 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -58.98 -55.5 34.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.3 p -59.67 -37.73 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.59 -48.91 79.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.973 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -64.65 -42.89 95.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.16 -44.27 97.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 37.8 mt -61.94 -49.5 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.8 t -55.82 -58.71 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.041 179.908 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -55.95 -38.54 70.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.6 ttt -66.82 -31.93 72.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -51.22 21.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 -179.83 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -28.44 64.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -53.82 -36.8 62.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.0 mp -62.44 -30.28 71.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.77 34.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t30 60.41 33.95 20.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.846 179.934 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.99 44.72 94.42 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.497 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -99.66 112.01 24.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.82 -28.78 70.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.45 -26.98 64.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.879 179.9 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 12.3 t -68.26 -26.53 65.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.6 mmt -71.54 -36.96 71.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -100.99 27.99 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -101.52 -43.72 5.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.98 23.17 14.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -102.4 36.41 2.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.6 -33.44 4.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.65 -38.62 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.31 -33.31 63.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.714 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -57.81 -26.43 61.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -127.42 41.07 3.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -152.07 28.82 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.03 135.37 36.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.97 179.929 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.69 -24.22 58.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.891 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 mt -77.16 154.5 82.43 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.585 0.707 . . . . 0.0 110.952 179.892 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 C--N 1.342 0.223 0 C-N-CA 122.634 2.223 . . . . 0.0 112.348 179.918 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.5 mttt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.713 0.292 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mt 71.11 -68.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.066 179.811 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.6 p -50.75 -50.35 55.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.907 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.6 t -57.65 -52.33 65.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.839 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.33 -52.61 51.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.6 mp -60.96 -34.59 74.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.907 0.384 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.7 tp -63.86 -49.74 71.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -62.02 -52.3 64.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -55.18 -41.23 71.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 -179.91 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -63.35 -43.57 97.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.915 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.55 -28.81 68.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.959 -179.849 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -72.77 -55.27 6.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.922 -179.879 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.45 -43.45 96.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -67.68 -32.88 73.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -66.83 -49.6 65.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 24.1 ptm -65.68 -42.02 91.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.4 tptm -59.2 -28.51 66.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.84 -24.31 64.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -153.42 71.36 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.1 mt -119.97 178.04 4.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -175.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.974 179.763 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.3 -50.46 60.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.874 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -76.23 -44.91 35.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.803 -179.849 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.9 mmtm -55.91 -32.7 64.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -70.25 -42.19 72.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.825 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.02 -38.4 88.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.944 179.846 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.6 -47.1 23.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.35 -47.08 82.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.886 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -53.19 -50.51 64.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 -179.903 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.08 -46.65 94.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -42.68 88.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.016 179.879 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -61.02 -50.08 74.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -54.88 -51.57 65.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.93 -50.48 70.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.8 m -56.84 -50.53 72.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.873 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -54.75 -39.12 67.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.2 m -64.59 -50.98 65.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.056 -179.897 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.5 -30.84 71.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 78.9 mt -72.98 -39.22 57.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.02 -39.85 75.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.876 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.6 mt -69.12 -47.69 73.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -63.58 -47.13 82.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -64.31 -39.78 94.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -61.39 -53.45 56.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.47 -51.97 67.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.9 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.7 t -59.54 -36.62 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -69.21 -35.56 76.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.3 -36.97 69.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.851 179.859 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 97.4 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.957 0.408 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -51.73 -50.35 60.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.56 92.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.835 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.5 mt -58.25 -64.04 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 10.6 mt -51.88 -55.03 22.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 179.872 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 64.1 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.131 179.947 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.4 mm? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.871 0.367 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -78.98 -28.1 43.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.93 -26.46 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.91 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -69.65 -68.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.97 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 93.5 m -48.34 -44.92 34.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.7 mm -63.38 -46.2 96.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -62.89 -32.23 73.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -55.1 10.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.853 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.6 pt -60.27 -36.16 66.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.87 -55.69 13.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -55.35 -45.46 76.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.4 t -61.53 -44.7 96.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 19.2 tp -57.18 -50.84 71.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -57.11 14.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.773 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -54.08 -48.27 70.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -57.54 -48.78 78.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.37 -50.81 66.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -56.79 -48.51 77.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 57.3 t -61.25 -44.08 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.814 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 93.2 m -57.51 -46.98 83.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.077 -179.928 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.13 -49.45 74.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 53.1 ttt-85 -61.85 -32.54 72.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 29.3 t -70.25 -51.91 27.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.8 t -63.48 -25.02 68.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.965 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.6 t . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.759 0.314 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 63.66 37.34 10.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.887 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.1 t -110.31 159.88 17.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.167 180.0 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.9 p -51.14 -48.99 61.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -51.61 62.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.787 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -61.09 -39.33 89.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.1 t -63.28 -54.51 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.89 -51.85 52.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.16 -43.73 96.89 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 -179.859 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.95 -50.09 70.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.721 0.296 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.0 mm -53.74 -44.91 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.8 p -64.98 -42.85 94.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -59.13 -55.47 34.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 179.885 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.4 p -60.56 -36.21 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -60.21 -48.36 82.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -65.37 -42.03 93.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.868 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.95 -42.32 98.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.6 mt -65.41 -45.64 92.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.214 179.884 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.5 t -60.01 -44.52 94.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.143 179.833 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -70.24 -42.9 71.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.8 ttt -65.86 -31.76 72.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.0 ttp85 -75.28 -51.11 14.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -28.74 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -55.58 -39.58 70.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.0 mp -54.15 -30.57 49.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.2 m -95.95 32.36 1.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 58.27 29.51 18.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.71 44.37 95.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.462 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -100.6 117.93 35.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.922 0.391 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 83.3 p -59.62 -27.17 66.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -40.4 94.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.849 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 t -61.51 -34.22 75.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.4 mtp -62.91 -45.26 93.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -104.18 26.18 9.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -83.51 -61.69 1.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.72 26.51 10.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -98.13 27.36 4.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.94 -30.96 8.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.031 -179.956 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.37 -31.09 5.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.68 -32.63 71.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 179.826 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -52.89 -32.78 47.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 -179.929 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -120.79 26.89 8.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.91 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -138.03 27.1 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.09 132.74 36.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.26 -25.99 63.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.768 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.0 mt -79.61 154.89 76.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.616 0.722 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.157 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 179.763 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.799 0.333 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.1 mt 71.06 -68.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 p -50.87 -49.63 58.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.5 t -57.0 -52.17 66.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 -179.762 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.82 -51.7 57.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.483 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 mp -59.35 -40.43 86.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.94 -49.14 71.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.839 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -58.96 -50.74 72.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.844 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -57.98 -45.26 87.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -57.0 -48.5 78.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.67 -36.44 83.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.837 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -62.75 -64.37 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 pp -54.48 -39.11 67.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.94 -37.1 86.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -68.19 -50.14 56.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.915 -179.883 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.3 ptm -68.45 -26.83 65.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.856 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -65.33 -30.21 71.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.94 -37.84 80.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.959 179.935 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -124.79 95.99 4.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.4 mt -146.54 176.0 10.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.974 179.898 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -73.75 -175.92 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.859 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -62.71 -51.03 68.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -73.79 -46.19 47.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -55.86 -37.09 68.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.17 -49.65 59.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.901 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -54.56 -47.36 73.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -71.31 -40.04 71.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.95 -43.42 73.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.081 179.832 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -55.73 -49.53 72.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.76 -44.59 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.49 -47.11 82.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -61.2 -50.83 71.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -53.21 55.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -55.09 -50.52 68.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 18.9 m -53.54 -43.9 68.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.178 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -68.43 -31.51 70.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.4 m -67.23 -56.55 9.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.906 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.29 -42.56 99.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.53 -37.19 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.805 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -70.12 -41.52 73.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 179.854 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 18.0 mt -64.8 -51.81 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.117 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.72 -49.97 72.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -57.58 -40.47 79.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -65.25 -46.52 80.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.09 -52.0 67.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.2 m -66.7 -30.5 49.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -36.34 77.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.875 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -77.82 -41.64 36.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.871 179.831 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.525 -0.019 0 CA-C-O 120.922 0.392 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -51.02 -49.41 60.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.93 -48.64 75.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.872 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 16.8 mt -54.61 -55.03 33.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.59 -62.9 1.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 56.9 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 179.928 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.807 0.336 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -66.37 -31.37 72.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.86 -26.38 5.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.852 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -69.44 -69.05 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.2 m -48.59 -44.93 37.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.106 -179.918 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.5 mm -62.9 -46.15 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.894 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -62.95 -32.12 73.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.965 179.949 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.83 -55.09 10.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.9 pt -60.29 -36.11 66.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -67.13 -54.87 17.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -55.26 -49.01 73.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.01 -47.45 85.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 7.6 tp -54.11 -52.01 62.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.62 -56.41 21.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.916 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.15 -50.14 65.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.874 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -57.56 -46.48 83.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.97 -179.928 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 9.9 mt -55.01 -49.72 70.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -58.36 -49.74 76.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.91 179.861 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 29.4 t -61.29 -36.38 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 179.879 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 97.0 m -63.27 -59.35 4.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.082 -179.962 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.87 -46.35 78.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 57.3 ttt85 -64.28 -33.85 76.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 30.4 t -71.04 -52.08 21.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.797 -179.763 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 8.9 t -61.61 -25.1 67.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.213 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.985 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.6 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.899 0.38 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 63.56 51.83 2.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.003 -179.873 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 t -107.97 159.07 16.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -51.37 -47.13 62.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.27 -51.71 51.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.829 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -60.65 -41.57 95.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.973 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.2 t -61.13 -54.53 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.185 179.902 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.73 -51.76 52.95 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.26 -40.46 93.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.953 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.28 -38.68 91.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.348 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.0 mm -63.69 -55.88 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.895 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.6 t -57.82 -41.85 83.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -63.72 -55.14 25.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -31.88 41.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -67.15 -49.0 66.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -61.74 -42.22 98.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.3 -48.07 81.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.0 mt -58.96 -41.45 83.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.44 -50.36 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.113 179.826 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.61 -41.85 95.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.5 ttt -67.29 -34.79 78.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.8 ttp85 -68.21 -51.32 46.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.3 -28.31 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.71 -34.71 59.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.6 mp -67.51 -29.53 68.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.92 31.3 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 62.87 39.49 10.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 53.49 45.02 67.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.464 179.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -100.75 102.74 13.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 110.905 -179.875 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.69 -28.93 64.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.852 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -71.35 -26.59 62.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 48.1 t -65.54 -28.69 69.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.0 mtp -57.44 -33.34 67.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.935 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -120.55 26.94 8.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -86.26 -48.72 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.8 23.42 13.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -101.97 38.31 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.27 -25.1 9.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 -179.979 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.84 -37.78 2.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.859 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.49 -28.32 59.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.15 179.813 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -56.45 -26.44 53.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -114.45 29.0 8.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -147.42 28.48 0.98 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.58 -47.93 5.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.994 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.98 23.95 10.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.785 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.4 mt -84.11 159.27 60.06 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.653 0.739 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.216 0 C-N-CA 122.632 2.221 . . . . 0.0 112.346 179.874 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.1 mttm . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.817 0.341 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.2 mt -115.6 -25.67 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.905 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.96 -33.01 70.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.874 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.8 t -57.34 -52.23 66.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.21 -51.13 40.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tp -55.27 -44.86 76.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.94 0.4 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 45.3 mt -64.5 -49.25 72.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.42 -53.39 58.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -55.56 -46.6 77.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -56.22 -47.49 78.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 p -63.72 -35.1 79.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.769 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -66.17 -64.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.2 pp -51.29 -46.23 62.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.34 -51.18 70.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -54.8 -40.78 69.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.823 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.5 ttp -71.18 -31.58 67.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 179.913 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -65.62 -32.72 74.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -59.21 -20.69 56.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -144.56 79.4 1.6 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.2 mt -136.49 178.24 7.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -71.22 -177.46 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.827 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -63.4 -51.25 66.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.813 179.846 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -72.32 -49.14 36.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -55.72 -28.54 56.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -68.31 -45.65 72.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.69 -38.34 83.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.843 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -72.74 -48.96 34.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.935 179.899 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.03 -50.09 74.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.859 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -53.77 -49.99 67.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 74.1 t -59.0 -43.35 88.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.62 -46.83 83.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -60.38 -48.47 81.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.893 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -53.82 -51.58 63.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.78 -49.6 76.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.7 m -56.46 -49.62 74.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 -179.912 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -55.32 -45.29 76.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.812 -179.894 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.0 m -59.3 -54.71 43.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.57 -30.08 69.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 25.7 mt -68.91 -44.11 81.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.816 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -66.28 -47.22 74.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.906 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.2 mt -60.76 -52.27 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -62.14 -45.36 93.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -56.51 -42.46 78.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -65.65 -49.64 67.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -55.67 -52.28 64.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.808 -179.888 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.63 -31.14 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -41.12 97.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.858 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -88.17 -19.92 26.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.81 179.9 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.878 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.899 0.38 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -51.65 -50.35 60.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -52.51 -45.3 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.066 179.9 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 14.2 mt -60.46 -48.97 79.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.911 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.04 -60.54 3.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.948 179.922 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 30.9 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.92 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.812 0.339 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.16 -26.2 66.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 179.881 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.8 -26.36 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -69.39 -69.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.0 m -48.84 -45.11 40.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.7 mm -62.75 -44.72 99.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.158 179.865 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -62.56 -33.02 74.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.992 179.858 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -70.09 -55.17 10.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.773 -179.912 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 25.2 pt -58.69 -35.72 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.73 -54.56 18.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -58.08 -49.93 75.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.846 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 86.7 p -60.69 -41.06 94.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.9 tp -58.22 -54.84 42.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -57.44 -56.66 18.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.874 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -53.34 -44.3 68.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -57.69 -48.8 78.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.7 mt -57.56 -53.26 60.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -51.76 -50.51 60.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.786 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 85.1 t -59.1 -45.9 92.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 179.834 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 48.4 m -59.31 -34.56 72.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -70.54 -52.09 24.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 50.7 ptt85 -67.98 -19.96 64.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.795 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 74.8 p -80.79 -49.45 11.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.823 -179.728 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 8.9 t -59.8 -23.03 62.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.991 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.4 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.814 0.34 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 63.46 25.23 14.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.816 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -109.64 168.61 9.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 -179.922 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.75 -36.8 27.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.01 -43.27 75.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.924 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -62.68 -51.49 67.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.2 m -60.44 -43.98 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 179.9 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.67 -52.31 53.79 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.94 -39.79 97.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.544 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tt -64.35 -46.94 81.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.338 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.5 mm -59.05 -42.97 88.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.792 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.9 p -64.88 -43.65 92.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -58.88 -55.59 33.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.771 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.1 p -60.01 -35.6 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.35 -48.59 81.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.6 t90 -65.28 -41.81 93.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -62.69 -41.5 99.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.3 mt -65.23 -47.42 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.123 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.0 t -58.87 -46.76 90.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.189 179.871 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.8 -42.1 82.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.0 ttt -66.01 -31.82 72.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -51.04 17.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.859 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -28.79 66.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.55 -39.91 74.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.4 mp -55.25 -28.88 56.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.8 m -98.41 31.03 2.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 179.85 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.21 28.6 18.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.77 43.02 92.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.93 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -99.53 107.61 19.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 110.909 -179.863 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.6 p -54.45 -29.7 50.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.787 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -31.09 72.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.6 t -63.31 -27.28 69.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.8 mtp -63.71 -50.22 70.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -110.83 37.42 2.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.812 -179.85 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -76.64 -43.09 39.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.9 27.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -77.33 -26.08 51.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.791 -179.931 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.64 -34.9 53.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.4 -31.11 10.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.85 71.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.738 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -53.71 -31.68 49.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -114.94 34.04 5.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -142.92 26.77 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.947 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.0 132.56 50.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.8 -26.06 20.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.816 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.64 160.8 49.98 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.7 0.762 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo . . . . . 0 C--N 1.342 0.219 0 C-N-CA 122.744 2.296 . . . . 0.0 112.272 -179.988 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.776 0.322 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.2 mt -91.75 -37.17 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.853 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 m -52.06 -44.47 64.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.0 m -57.19 -51.96 67.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.846 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -55.67 -51.15 56.84 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.42 -45.88 80.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.358 . . . . 0.0 110.879 -179.878 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -49.33 76.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -56.64 -52.67 64.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -56.32 -45.15 80.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.824 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -56.23 -48.4 76.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 m -62.77 -37.61 87.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.751 -179.772 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -61.57 -63.57 1.23 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 -179.884 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.0 pp -55.91 -35.86 67.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.04 -46.11 90.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 179.862 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -65.54 -42.98 91.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.759 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.8 ttt -70.35 -25.85 63.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -70.66 -26.04 63.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -36.53 77.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -129.25 97.16 4.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.887 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.0 mt -149.05 176.14 10.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.956 179.933 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -75.39 -175.98 2.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.832 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -51.02 68.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -73.91 -45.91 47.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.71 -39.67 71.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.868 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -65.56 -49.62 68.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.834 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -54.38 -48.39 71.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.864 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -67.64 -40.99 84.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.92 -46.06 74.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 179.83 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 14.1 ttt-85 -55.65 -49.59 72.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.8 -179.897 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 90.2 t -60.12 -40.45 83.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.75 -50.21 74.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -59.37 -51.64 69.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -53.95 -53.15 56.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -53.95 -46.42 71.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 9.4 m -58.11 -47.13 84.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 -179.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.64 -33.33 74.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.1 m -69.14 -56.2 8.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.924 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 pp -59.73 -33.21 71.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.961 179.916 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 66.7 mt -71.74 -42.92 70.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -43.84 95.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 179.934 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 52.5 mt -67.29 -53.02 36.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -58.67 -48.52 80.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -61.31 -41.31 96.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -63.19 -40.68 98.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -65.38 -52.17 55.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 34.3 m -64.94 -33.54 64.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 -179.935 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.04 -41.17 78.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -78.31 -25.37 46.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.996 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.888 0.375 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -50.97 -49.9 59.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.33 -53.23 56.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.028 179.874 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.0 mp -51.75 -53.83 35.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.69 -64.23 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 64.2 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.931 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.836 0.35 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 32.7 ptt85 -57.31 -28.93 63.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.87 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.84 -26.73 10.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.194 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -69.76 0.33 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.819 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.3 m -48.77 -45.18 39.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.23 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.6 -49.78 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.854 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.46 -29.37 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -55.22 9.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 18.2 pt -61.93 -37.0 77.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.26 -53.05 33.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -58.72 -43.07 90.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.871 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 5.2 t -64.23 -42.46 96.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.6 tp -62.8 -41.11 99.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.0 -57.25 8.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.824 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -56.66 -37.18 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.792 -179.867 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.84 -48.78 70.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 -179.89 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 31.2 mt -60.72 -37.7 82.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.869 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -66.55 -59.77 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 179.867 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 11.3 p -56.87 -31.05 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 179.884 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 98.7 m -78.02 -32.92 51.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -72.47 -35.71 68.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.63 -37.65 24.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 48.3 t -69.68 -49.13 56.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.3 t -51.85 -29.7 20.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.997 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.794 0.33 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 63.41 54.16 2.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.835 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.6 t -119.79 164.99 15.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 -179.976 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.96 -34.15 19.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -68.45 -44.9 73.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.869 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -61.3 -50.61 72.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.0 m -62.22 -39.95 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.63 -52.82 50.13 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.432 179.913 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.21 -36.31 92.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.447 -179.87 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.6 tt -69.33 -35.97 76.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.789 0.328 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.1 mt -68.53 -47.89 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.092 179.875 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.8 t -64.29 -40.43 95.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -65.18 -55.06 20.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.43 -33.29 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 -179.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.4 mt -64.73 -49.01 72.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.0 t90 -63.21 -42.62 99.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -43.67 98.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.4 mt -61.75 -47.02 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.4 t -59.49 -44.31 92.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -69.09 -42.56 75.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.3 -31.78 72.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.54 -51.06 13.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -28.72 67.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -53.72 -40.92 66.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.7 mp -54.9 -27.69 44.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.13 31.13 2.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.836 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.06 26.19 15.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.23 42.55 99.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -89.42 106.58 18.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.901 -179.887 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.9 p -52.62 -39.52 61.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.791 -179.837 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -65.59 -37.41 86.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.6 t -54.37 -27.45 36.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.5 mtp -67.98 -50.94 52.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -102.35 32.95 3.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.49 -62.46 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.6 29.98 7.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.914 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -96.22 29.76 2.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.61 -35.08 6.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.28 -36.1 5.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.58 -30.83 71.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 179.775 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.49 -27.29 68.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 -179.934 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.44 27.31 9.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -139.7 26.15 2.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.19 -40.67 10.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.984 179.924 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.47 22.32 9.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.778 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.7 mt -84.03 158.47 61.56 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.712 0.767 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.343 0.237 0 C-N-CA 122.658 2.238 . . . . 0.0 112.365 179.828 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.0 mttt . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.888 0.375 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.7 mt -90.08 -41.37 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.221 179.802 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -47.85 81.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 -179.856 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.3 t -53.83 -52.32 60.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.834 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.85 -51.04 61.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.455 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.57 -48.94 73.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.861 0.362 . . . . 0.0 110.912 -179.886 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.89 -49.19 76.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.88 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -54.96 -49.97 70.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -55.89 -50.18 71.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.933 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.526 ' HE2' ' HB2' ' A' ' 126' ' ' GLU . 38.7 t-80 -55.6 -43.7 76.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.3 m -63.64 -38.57 91.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -63.97 -61.65 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 -179.921 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.4 pp -54.23 -38.83 66.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.5 -35.45 77.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -70.68 -38.34 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 -179.842 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.6 ttp -75.13 -34.56 61.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.93 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -25.79 68.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -59.84 -39.99 87.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.971 179.864 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -130.25 98.82 4.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.5 mt -149.03 178.02 9.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -79.19 -176.0 4.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.796 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -62.59 -51.06 68.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.882 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.48 -48.78 59.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -55.96 -37.46 69.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -52.91 39.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.832 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -53.16 -45.89 68.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.896 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -70.68 -40.01 73.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.79 -42.66 75.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.038 179.802 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -55.6 -43.64 76.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.82 -34.75 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -52.08 49.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -42.36 95.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -58.87 -53.14 61.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -56.87 -55.22 37.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.769 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.7 m -55.91 -44.57 78.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.843 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.526 ' HB2' ' HE2' ' A' ' 100' ' ' HIS . 37.3 tt0 -53.97 -53.45 52.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 98.7 m -61.41 -36.05 79.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 -179.936 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.06 -52.08 61.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 10.2 mt -60.08 -37.87 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.873 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.67 -48.17 78.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.735 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 35.2 mt -64.01 -53.32 45.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 -179.976 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -57.99 -41.69 83.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -61.6 -49.47 76.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -56.98 -51.24 70.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -56.0 -52.01 65.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 99.0 t -59.73 -44.39 93.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -56.66 -44.25 81.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -77.11 -23.06 51.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 179.854 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.4 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.819 0.343 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -51.46 -45.42 62.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -63.45 -31.92 73.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.049 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 24.9 mt -69.2 -57.57 5.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.5 mp -56.85 -46.32 81.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 65.9 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.136 179.963 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.7 mp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.874 0.368 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -56.61 -28.47 60.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -27.05 11.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 -179.922 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -69.78 -69.61 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.893 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.7 m -48.65 -45.87 39.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.14 -50.23 81.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -58.24 -30.99 66.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.995 179.85 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.14 -55.35 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 18.0 pt -61.92 -37.2 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.032 -179.947 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.22 -56.4 10.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -54.02 -45.24 71.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 8.3 t -60.83 -49.34 77.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.1 tp -53.11 -55.71 21.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.36 -53.42 54.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.837 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -46.15 68.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.948 -179.912 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -62.68 -36.0 81.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.22 -58.79 6.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -45.88 79.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.845 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 69.3 t -61.21 -52.78 57.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.922 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 54.8 m -51.53 -49.79 61.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 5.8 tp -61.38 -41.23 96.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -64.16 -30.8 71.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 26.9 t -74.51 -52.06 13.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 -179.83 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.2 t -59.87 -32.66 70.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.85 -179.992 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.8 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.828 0.347 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 63.68 54.29 1.88 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 -179.884 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 t -108.51 159.07 16.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.171 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -51.08 -47.52 61.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.8 m -51.56 -51.33 56.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -61.01 -39.38 89.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.3 t -61.76 -54.4 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.56 -52.17 53.46 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.437 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.31 -39.47 92.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.523 -179.912 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.45 -39.95 89.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.7 mm -62.46 -53.07 52.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.854 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 t -61.26 -37.82 84.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -67.33 -55.27 14.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.1 p -62.15 -32.4 54.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.4 mt -67.03 -48.3 68.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -63.97 -40.54 96.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -49.55 74.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.4 mt -58.96 -46.16 91.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.084 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.7 t -59.37 -46.65 92.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.886 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -65.81 -42.89 90.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.9 ttt -66.72 -31.87 72.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -73.88 -50.44 20.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -28.85 65.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -54.06 -36.64 63.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mp -58.38 -28.81 65.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 98.1 m -97.25 29.26 3.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.4 t30 58.55 26.47 14.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.74 35.92 49.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.41 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -90.75 115.25 27.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.792 0.329 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.4 p -62.95 -40.04 96.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.62 -26.22 63.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -29.61 70.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.915 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.5 mtp -63.37 -49.21 74.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -110.44 33.78 4.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -69.62 -42.22 74.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.18 27.43 0.94 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 179.894 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -76.67 -25.91 54.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.971 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.8 -29.92 21.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.084 179.914 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.88 -38.47 5.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.66 -38.99 61.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 179.862 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -54.7 -29.74 53.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.878 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -108.34 28.83 7.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -136.82 26.82 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.9 126.88 53.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 179.939 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.5 -28.26 25.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.836 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.77 156.26 73.26 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.593 0.711 . . . . 0.0 110.989 179.883 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.155 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 179.909 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.784 0.326 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.1 mt -117.22 -26.88 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -48.81 50.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.907 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.4 m -53.88 -52.21 61.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.97 -50.95 62.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.543 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 39.1 mt -55.46 -50.46 69.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.836 0.35 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.7 -49.29 73.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.849 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -51.38 65.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -55.53 -48.81 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.848 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -54.86 -47.52 74.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.1 t -62.28 -37.23 84.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.912 -179.844 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -64.15 -64.51 0.87 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.893 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 pp -53.33 -37.61 62.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.27 -38.43 85.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -66.85 -42.35 85.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.899 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.5 ttp -74.93 -34.14 62.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -60.79 -27.93 68.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.91 -41.27 91.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.892 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -126.3 96.62 4.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.7 mt -148.36 177.96 8.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -78.86 -176.15 4.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 179.89 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -62.43 -51.08 68.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.82 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -70.46 -48.39 56.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -55.94 -36.93 68.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 179.919 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -51.49 47.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.779 179.895 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.74 -48.09 69.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -69.86 -39.52 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.95 -46.05 74.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.183 179.876 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -55.73 -49.56 72.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.8 -179.932 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.38 -43.04 93.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.11 -50.06 75.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -58.49 -49.51 77.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -53.93 -53.07 57.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.88 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -55.44 -45.65 76.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.7 m -56.13 -51.4 68.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.154 -179.935 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -63.04 -30.65 71.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 85.9 m -68.81 -52.44 30.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.16 -179.92 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.73 -32.32 73.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.818 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 72.9 mt -72.58 -39.06 60.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.895 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -71.8 -38.48 70.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 29.2 mt -70.41 -45.68 74.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -67.77 -43.28 80.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -65.91 -43.31 88.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -63.8 -48.27 77.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.95 -52.0 67.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 98.5 t -63.14 -38.03 80.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.093 -179.982 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.854 179.929 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -71.78 -35.61 70.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 7.2 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.983 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.929 0.395 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -51.94 -50.98 60.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.43 -39.59 88.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.87 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 25.0 mt -59.47 -63.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 5.5 mt -52.86 -52.9 55.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 58.6 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.978 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 2.5 tp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.795 0.331 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -63.85 -26.98 68.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -26.52 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.58 -68.97 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.873 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.8 m -48.61 -44.7 37.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.1 mm -63.15 -46.51 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.158 179.866 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -62.93 -32.1 73.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.74 -54.97 11.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 21.2 pt -60.52 -36.03 67.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.53 -50.56 58.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.88 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -58.36 -44.38 88.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 2.6 p -64.91 -43.76 91.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 16.6 tp -57.43 -55.91 28.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.76 -53.04 62.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.909 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -53.08 -48.87 67.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -58.48 -47.43 84.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.873 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 2.3 mt -54.26 -55.64 26.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -54.12 -53.77 48.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 59.0 t -56.92 -35.8 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 96.6 m -63.37 -60.22 3.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -55.41 -37.85 68.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 30.6 ttt-85 -68.6 -47.89 65.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 3.4 t -60.28 -52.17 66.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.729 -179.726 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.7 t -60.61 -23.68 64.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 33.6 mtp85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 -179.969 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.853 0.359 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 63.53 41.12 7.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.8 t -108.04 160.19 15.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.0 p -51.16 -48.46 61.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.208 179.975 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.83 -51.51 56.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.4 -41.93 97.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.6 t -60.97 -54.25 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.962 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.33 -51.62 54.95 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 179.961 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.88 -42.15 94.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.904 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -50.66 66.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.718 0.294 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.2 mm -53.9 -44.2 60.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.822 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.8 p -64.58 -45.6 86.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -62.51 -55.15 30.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.5 p -59.69 -33.4 51.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.894 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.1 -48.33 74.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.6 t90 -63.47 -41.19 98.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.886 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -62.13 -47.31 85.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.7 mt -60.4 -48.12 89.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.6 t -56.6 -55.37 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.788 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -57.42 -45.84 84.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -31.89 73.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.825 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.19 -51.24 40.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -70.66 -28.64 64.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -56.59 -29.97 62.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.3 mt -62.94 -26.82 69.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 60.5 m -102.72 29.93 5.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.882 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 t30 62.76 32.42 16.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.85 35.85 92.54 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -90.78 107.18 19.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.752 0.31 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.06 -28.36 51.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.809 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -37.93 89.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -27.05 66.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.5 mtp -69.69 -45.62 67.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -106.4 34.46 3.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -94.07 -63.06 1.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.48 32.91 4.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -99.13 27.27 5.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.756 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.01 -34.46 5.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.856 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.17 -36.86 5.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.86 -36.8 63.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.092 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -54.74 -30.17 55.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -109.18 26.2 10.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -141.32 26.1 2.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.7 -48.3 4.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.01 24.09 9.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.2 mt -84.02 159.28 60.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.617 0.722 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.341 0.148 0 C-N-CA 122.671 2.247 . . . . 0.0 112.385 179.822 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.727 0.299 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mt 71.11 -69.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.105 179.808 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.77 -50.07 56.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.879 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -52.35 60.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.23 -46.56 94.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 20.5 mt -54.03 -44.78 71.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.742 0.306 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -49.25 70.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.885 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.76 -53.0 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 179.848 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -57.81 -47.4 82.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.978 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -54.53 -44.31 72.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.944 179.865 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -65.24 -41.48 94.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -59.92 -63.0 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.874 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 pp -54.27 -43.88 71.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.63 -39.67 81.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -67.38 -44.98 77.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 -179.876 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 37.9 ttp -68.51 -30.93 69.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.06 -25.81 67.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.954 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -60.12 -37.49 80.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -134.01 100.78 4.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.1 mt -148.37 175.38 11.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -72.42 -176.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.789 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -63.01 -51.12 68.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -73.63 -45.74 51.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm -55.85 -39.86 72.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.928 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -68.04 -48.98 64.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.88 -48.8 66.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -72.67 -36.59 67.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.95 -45.74 74.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.079 179.713 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -55.65 -49.44 72.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.8 -40.43 85.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.37 -50.02 74.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -52.02 67.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 179.896 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 36.4 ttm-85 -53.73 -53.2 55.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -54.07 -45.99 71.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.804 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 11.0 m -56.9 -51.17 70.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.169 -179.869 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -63.27 -28.18 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 21.9 m -71.69 -56.1 6.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.861 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 pp -62.3 -34.54 76.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.931 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 79.1 mt -70.32 -47.61 65.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.253 179.738 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -61.6 -40.61 95.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.829 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 24.1 mt -67.04 -52.33 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -61.64 -46.55 89.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.56 -41.17 96.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.793 -179.939 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -63.56 -45.55 89.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -60.96 -52.24 65.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.4 m -65.43 -30.81 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -42.8 80.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.904 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -76.59 -30.63 57.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.9 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 28.2 tp . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 -179.993 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.924 0.392 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -50.7 -51.14 52.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.68 -48.88 71.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.5 mt -54.07 -55.62 25.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.91 -63.07 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 61.9 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.921 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.2 tp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.96 -26.72 63.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.941 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.76 -26.46 9.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -179.91 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -69.3 -69.69 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.9 m -48.85 -44.59 39.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.217 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.52 -48.32 89.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.185 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -62.07 -29.22 70.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 179.877 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -55.21 8.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 17.9 pt -60.1 -37.47 73.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 179.9 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.74 -54.99 14.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -57.94 -45.6 86.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.004 179.804 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.4 t -61.23 -46.37 90.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 22.3 tp -56.61 -58.12 9.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -52.73 -51.25 61.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -58.34 -38.51 77.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -68.97 -30.04 68.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 55.1 mt -73.22 -46.65 49.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -64.13 -43.88 93.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.808 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 21.9 m -68.96 -36.81 75.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 21.6 m -72.37 -34.99 68.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -73.84 -40.25 63.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -75.22 -32.96 61.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 32.9 t -74.07 -51.55 15.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.771 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.0 t -57.85 -29.79 65.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 -179.943 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.791 -179.938 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.848 0.356 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 60.65 32.97 20.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 -179.848 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.2 p -106.63 175.2 5.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.213 179.936 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.03 -35.33 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.9 m -68.3 -45.02 74.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.823 -179.854 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -61.06 -51.14 70.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.1 m -61.73 -41.18 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.7 -52.42 53.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.416 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.98 -39.32 97.93 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.511 -179.871 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 tt -66.53 -34.81 78.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.1 mm -68.64 -50.68 53.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.078 179.798 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 t -62.86 -37.87 88.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.949 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -66.16 -55.46 16.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.78 -32.57 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.6 mt -66.6 -48.44 69.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -63.82 -40.11 95.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -64.09 -45.07 90.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.4 mt -62.37 -44.66 99.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.058 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.4 t -60.62 -50.09 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -66.09 -40.93 91.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.1 ttp -66.76 -32.23 73.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.816 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -72.75 -50.63 23.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -70.18 -28.89 65.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.22 -38.82 68.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.98 179.911 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.8 mp -54.62 -28.59 47.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.76 34.79 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 60.8 28.33 18.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.8 40.97 97.74 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -98.04 105.82 18.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 64.7 p -54.02 -33.46 57.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 -179.901 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -30.97 69.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.41 -32.85 74.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.0 mtp -69.25 -36.8 77.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -111.43 30.01 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.19 -63.86 1.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.84 23.6 13.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -76.07 -26.74 56.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.74 -25.6 55.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.3 pp -115.59 -41.07 3.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.45 -29.03 65.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 179.761 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -62.39 -26.32 68.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.945 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -123.74 30.6 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -133.81 27.04 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.28 127.55 51.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.997 179.868 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.69 -33.34 41.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.9 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.98 156.44 73.85 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.582 0.706 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.251 . . . . 0.0 112.323 179.877 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.7 mttp . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.656 0.265 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.7 mt 72.72 -62.28 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.132 179.871 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -50.36 -49.21 54.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.9 m -54.04 -52.57 60.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.44 -46.73 93.75 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 mp -55.89 -44.96 78.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.903 0.383 . . . . 0.0 110.968 -179.94 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -49.34 75.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.915 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.29 -54.15 47.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -55.8 -47.04 77.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.943 -179.894 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.427 ' HE2' ' HB2' ' A' ' 126' ' ' GLU . 36.7 t-80 -55.44 -42.78 74.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -31.19 68.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.834 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -70.53 -53.39 16.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 pp -63.17 -44.97 93.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -65.6 -31.75 72.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.876 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -68.78 -52.36 31.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 -179.871 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 18.4 ptm -72.33 -25.89 61.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.804 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -36.69 78.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -38.08 81.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -118.11 92.41 3.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.1 mt -149.02 178.05 9.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 179.953 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.83 -176.0 3.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.85 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.03 -51.29 67.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.819 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -72.36 -46.87 53.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.911 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -55.71 -38.27 69.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -48.33 64.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 179.914 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.0 -48.22 70.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.847 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -72.38 -37.93 68.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.78 -45.79 74.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.811 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -55.75 -45.79 77.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.7 t -66.41 -33.16 61.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.57 -51.08 60.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.968 179.942 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -63.86 -41.15 97.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -60.99 -53.32 58.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.831 -179.94 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -56.76 -54.96 40.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.9 m -54.53 -47.16 73.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.926 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.427 ' HB2' ' HE2' ' A' ' 100' ' ' HIS . 32.5 tt0 -54.45 -47.56 72.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.37 -45.26 92.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.213 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -35.21 79.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.912 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 74.7 mt -71.27 -39.75 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -46.53 78.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.883 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.8 mt -64.28 -49.17 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.96 -47.73 85.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.782 -179.925 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -59.49 -41.02 88.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -63.19 -48.77 76.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -57.51 -52.48 65.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.96 -30.22 49.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.24 179.857 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -69.2 -36.3 77.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.891 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -88.09 -20.38 25.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.978 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.859 0.361 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -50.99 -43.78 60.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -59.58 -54.49 45.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 11.1 mp -51.54 -55.51 18.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -52.64 -62.79 1.42 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.886 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 65.4 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.878 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.813 0.34 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.93 -27.77 33.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.43 -27.22 15.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -70.12 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.949 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 94.2 m -49.12 -44.19 42.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.71 -46.06 97.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -59.73 -35.87 75.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.01 -55.37 11.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.9 pt -61.63 -35.76 69.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 14.9 mt -66.56 -50.75 62.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -58.71 -47.71 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 53.1 m -59.49 -46.21 89.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.7 tp -56.42 -54.16 48.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.73 -54.96 30.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.952 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -56.75 -43.99 81.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -60.71 -34.46 74.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 17.4 mt -69.29 -59.86 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.992 179.932 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -51.29 -41.53 60.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.816 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 78.6 t -66.3 -50.08 70.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 179.889 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 56.1 m -51.13 -45.91 61.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.91 -45.92 73.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.845 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -57.57 -28.38 63.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.6 -50.78 8.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.816 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 7.3 t -66.49 -16.0 63.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.7 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.803 0.335 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 63.7 22.95 13.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.965 -179.865 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 t -87.59 159.29 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -51.5 -47.77 63.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.3 -51.45 54.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.802 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.75 -38.16 81.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.73 -54.26 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.06 -52.86 48.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.525 179.917 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.77 -41.51 93.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.539 -179.898 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -46.7 86.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 110.835 -179.908 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.2 mm -57.67 -41.96 80.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.9 p -65.83 -42.21 90.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.955 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -59.32 -55.68 31.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.794 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.9 p -60.06 -39.56 80.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mp -56.63 -48.97 76.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -67.92 -37.07 81.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -43.5 95.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.2 mt -66.39 -46.67 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.41 -43.02 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.835 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.86 -43.31 65.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.3 ttt -65.42 -31.55 72.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.08 -51.11 12.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -67.75 -28.74 67.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.96 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.82 -34.19 65.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.2 mt -55.94 -33.77 65.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.6 m -96.54 32.43 2.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 56.45 32.16 20.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.801 179.987 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.45 38.44 96.32 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.394 179.94 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -90.08 113.84 25.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.3 m -58.78 -26.78 64.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -66.46 -36.2 82.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -33.94 77.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 19.2 mtp -61.04 -31.26 70.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.761 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -116.23 26.71 9.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -91.65 -62.0 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.915 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.15 26.31 10.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.869 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -97.83 27.67 4.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.91 -27.92 7.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.09 -32.64 7.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.91 -43.15 66.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -63.28 -26.12 68.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -108.1 26.51 10.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -142.64 26.23 1.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -104.81 155.13 19.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 179.852 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.39 17.42 2.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 179.834 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.8 mp -84.03 160.32 58.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.553 0.692 . . . . 0.0 110.959 179.931 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 N--CA 1.465 -0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.397 179.851 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.661 0.267 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.8 mt 73.62 -60.19 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 179.868 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 p -49.8 -44.06 48.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 99.8 p -60.53 -52.61 64.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.7 -51.5 58.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.429 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.5 -48.89 65.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 -179.817 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -58.1 -49.43 76.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -53.34 -49.81 66.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -57.55 -48.33 79.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.851 -179.758 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -54.23 -42.18 69.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.87 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.84 -32.4 69.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.846 -179.753 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -70.58 -51.48 28.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 pp -64.86 -45.34 86.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -64.78 -32.07 73.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -70.52 -46.89 62.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.6 ttt -72.4 -29.81 64.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.803 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -61.96 -33.76 74.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -30.88 69.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -132.58 95.23 3.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.8 mt -149.05 178.01 9.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -75.11 -176.01 2.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.993 179.778 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.18 -51.28 67.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 179.865 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -73.7 -45.98 49.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.62 -37.61 68.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.917 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -51.78 40.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.908 179.835 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.07 -47.29 65.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.4 -37.97 68.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.11 -43.77 74.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -55.58 -50.2 70.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.55 -45.25 97.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.951 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -50.92 67.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -28.94 69.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.837 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 58.2 ttm-85 -64.17 -54.64 30.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -64.84 -39.63 93.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 30.3 m -58.08 -48.88 78.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 -179.883 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -64.83 -40.0 94.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.2 m -63.67 -53.23 54.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -179.883 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.57 -33.71 75.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 20.6 mt -69.44 -37.12 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 179.774 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -70.94 -40.96 71.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.775 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 59.0 mt -66.32 -50.49 67.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -63.84 -50.1 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -58.83 -39.89 82.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.21 -50.67 69.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.09 -52.18 66.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.4 p -65.51 -27.78 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.189 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -42.76 76.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -73.73 -38.6 64.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.842 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.905 0.383 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -51.08 -49.99 59.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.33 -46.57 69.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 15.6 mt -59.38 -47.53 85.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.22 -63.22 1.26 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.845 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 72.7 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.964 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.76 0.314 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -28.52 68.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 179.933 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.5 -26.9 5.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.127 -179.866 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -68.85 -69.01 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.848 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 94.9 m -48.49 -46.58 38.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.134 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 36.9 mm -60.4 -46.47 95.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -62.93 -30.09 71.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -70.47 -53.14 17.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 -179.904 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 23.2 pt -63.12 -37.99 80.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.202 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.92 -57.88 4.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.869 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -31.16 65.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.007 179.809 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 88.5 p -73.34 -46.89 46.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.799 -179.832 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.8 tp -58.69 -47.43 84.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -52.8 50.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -54.91 -50.08 69.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -68.02 -29.26 68.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.27 -61.18 2.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -40.94 96.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.79 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 39.6 t -63.14 -43.5 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.864 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 31.6 m -65.84 -41.7 91.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 -179.979 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -63.58 -44.86 92.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -66.87 -39.03 87.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.823 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.53 -51.85 65.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.077 0.465 . . . . 0.0 110.899 -179.832 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 15.2 t -65.73 -24.96 67.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.2 -179.925 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.963 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.782 0.325 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 63.11 16.93 9.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.6 t -91.45 168.85 11.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -50.5 -45.12 56.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.72 -51.36 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.838 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -61.61 -35.04 76.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.5 t -63.97 -54.16 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 179.963 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.2 -51.94 55.75 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.5 -40.15 95.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.378 -179.898 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -45.15 88.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.744 0.307 . . . . 0.0 110.901 -179.902 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.58 -40.95 88.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.032 179.91 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.7 p -64.78 -45.18 87.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.188 179.953 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -60.84 -55.37 33.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.7 p -59.63 -35.54 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.06 -48.5 79.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -63.19 -43.15 99.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.39 -42.87 96.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.9 mt -63.98 -46.77 93.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 179.886 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.9 t -57.34 -47.56 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.839 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.52 -40.54 95.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.1 ttt -67.56 -35.18 78.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.959 179.891 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.63 -51.15 45.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.3 -28.7 66.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.869 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -53.88 -37.3 63.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.8 mp -54.55 -37.05 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 54.1 m -95.25 38.13 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t30 56.18 29.85 15.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 59.3 40.97 96.61 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -100.9 115.06 29.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.804 0.335 . . . . 0.0 110.829 -179.848 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.1 p -54.45 -28.71 46.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -26.67 55.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.799 -179.98 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.02 -26.94 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.816 -179.841 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.5 mmm -72.46 -31.03 65.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -112.48 30.54 7.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -96.21 -74.16 0.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.96 28.7 4.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -99.15 26.35 5.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.78 -30.86 4.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 -179.994 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.76 -32.96 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.968 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.79 -37.36 71.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.012 179.818 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -54.55 -29.19 50.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.801 -179.874 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -117.37 36.47 4.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -152.34 28.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.19 134.19 44.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.4 -26.78 26.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.828 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.21 160.63 47.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.647 0.737 . . . . 0.0 110.883 179.886 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.21 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.856 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.757 0.313 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.9 mt -113.79 -26.9 2.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.191 179.808 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 p -71.06 -46.59 61.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.78 -52.46 60.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.812 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.0 -47.62 88.82 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.514 179.958 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 mp -57.43 -50.99 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.955 -179.89 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -49.24 76.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.828 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -49.97 70.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -55.64 -51.7 66.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -54.28 -44.52 71.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.3 p -63.48 -37.65 88.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -66.0 -64.3 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 pp -51.0 -47.17 61.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -57.54 -51.15 70.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.9 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -57.5 -34.91 69.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.964 -179.868 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.3 ttt -74.37 -41.94 60.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.831 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -64.64 -25.82 68.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -20.57 56.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -154.71 79.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.969 179.961 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.0 mt -127.65 178.17 6.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -68.91 -175.93 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.834 179.897 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -64.07 -51.15 65.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.781 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -75.54 -46.34 32.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -55.81 -29.15 59.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.844 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -69.89 -45.42 67.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.844 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -36.6 82.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.68 -48.19 23.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 179.955 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.24 -48.55 80.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.797 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -53.69 -50.17 66.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.8 t -59.33 -44.74 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 -179.958 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -43.91 88.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -61.17 -50.02 74.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -52.82 59.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.3 -50.34 69.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.5 m -56.55 -50.43 71.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.932 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -54.79 -38.87 67.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.5 m -64.76 -54.41 31.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.87 -31.22 69.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 74.6 mt -72.99 -40.21 58.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.073 179.906 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -65.54 -45.49 83.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.6 mt -66.94 -45.95 86.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -65.62 -44.87 85.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.976 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -61.56 -42.82 99.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.773 -179.878 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.39 -54.37 37.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -55.46 -52.18 64.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 91.9 t -61.05 -47.42 93.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -51.79 -46.16 64.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.93 179.895 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.68 -23.82 49.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 179.926 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.5 tp . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.987 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.96 0.41 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -51.5 -48.9 62.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.74 -50.63 65.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.794 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 11.0 mp -56.51 -47.52 79.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.74 -63.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.896 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 36.7 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.936 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.822 0.344 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -27.85 69.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.774 -179.951 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.9 -26.41 5.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -179.86 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -69.44 -69.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.95 179.76 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.7 m -48.59 -44.82 37.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.162 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.3 mm -63.03 -46.32 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -62.77 -32.06 73.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 179.924 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -55.16 10.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.945 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 20.3 pt -60.23 -36.02 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.34 -53.47 29.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.95 179.882 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -57.68 -46.27 84.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 179.813 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.75 -48.77 80.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.866 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 21.5 tp -54.74 -57.68 10.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -52.18 -54.4 31.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.918 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.45 -32.62 67.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -72.66 -32.26 65.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.8 mp -72.71 -52.42 15.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -44.19 97.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.831 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.28 -36.76 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.064 179.964 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 16.0 m -72.13 -29.58 64.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -76.04 -40.33 53.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.0 179.905 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -25.25 42.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 17.3 m -81.98 -48.58 11.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.6 t -56.56 -24.78 49.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -179.958 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.913 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.776 0.322 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 59.48 24.64 13.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.2 t -109.73 172.77 6.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 179.944 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.1 p -50.84 -43.86 59.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.01 -51.76 68.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.806 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -61.9 -40.81 96.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.29 -54.29 36.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.09 -52.18 50.9 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.4 -43.54 95.71 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.885 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tt -63.82 -49.41 72.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.342 . . . . 0.0 110.985 -179.938 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.4 mm -54.14 -44.29 63.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.157 179.778 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.7 p -64.88 -43.09 94.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.241 179.912 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -58.56 -55.5 34.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.917 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.5 p -60.67 -36.7 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.11 179.952 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.14 -48.25 82.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.2 t90 -66.03 -41.23 91.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -62.02 -41.52 98.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.3 mt -66.56 -48.84 79.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.9 t -56.89 -46.66 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.902 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -42.31 86.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -31.8 72.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.13 -51.17 18.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.946 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -28.88 66.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -59.01 -34.82 72.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.0 mt -55.06 -30.88 60.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.0 m -98.72 30.25 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 63.25 31.53 15.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.83 43.43 91.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 179.93 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -97.05 108.8 21.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 95.4 p -58.55 -26.3 63.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.55 -32.75 72.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 179.837 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.7 -27.91 66.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.0 mtp -59.31 -35.39 73.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -122.93 27.48 7.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -89.09 -51.58 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.49 23.71 13.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.922 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -99.24 25.85 6.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.51 -41.71 5.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.953 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.2 -32.1 14.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.23 -31.58 32.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.742 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -53.44 -30.3 39.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.962 -179.949 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -121.5 25.98 9.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -145.5 26.93 1.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.91 -61.11 1.43 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 58.63 21.9 9.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 179.832 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.6 mt -84.15 158.45 61.25 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.622 0.725 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo . . . . . 0 C--N 1.342 0.203 0 C-N-CA 122.657 2.238 . . . . 0.0 112.421 179.792 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.5 mttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.725 0.298 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.2 mt 70.98 -69.04 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.2 t -50.92 -46.44 60.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.04 -52.57 64.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.857 -179.809 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.04 -51.2 60.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.442 -179.937 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -54.13 -50.98 65.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.897 0.38 . . . . 0.0 110.937 -179.911 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -55.33 -49.54 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.95 179.822 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -56.84 17.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -53.98 -42.91 69.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.804 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -58.26 -47.87 82.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.4 p -63.35 -34.81 78.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -65.94 -64.65 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 pp -52.27 -40.25 61.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -62.08 -49.02 77.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -57.41 -45.02 85.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 -179.822 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 33.8 ttp -72.33 -26.21 61.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -29.81 64.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.922 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -59.6 -23.91 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -144.29 95.88 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.1 mt -149.06 177.54 9.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -72.14 -176.13 1.69 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.99 -51.23 65.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.831 179.918 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -70.62 -47.81 58.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.822 -179.882 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -55.68 -39.57 71.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -67.58 -43.64 80.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.91 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -57.69 -49.36 76.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -71.32 -40.65 70.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.63 -44.36 73.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 179.827 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.19 -49.58 73.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.462 ' HA ' ' CG ' ' A' ' 123' ' ' ARG . 70.6 t -63.36 -32.36 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.67 -43.81 75.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -66.13 -53.64 35.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 120' ' ' VAL . 0.8 OUTLIER -57.35 -45.45 84.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.934 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -58.63 -51.11 71.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 24.4 m -57.93 -45.95 85.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -61.22 -36.64 80.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 22.4 m -65.95 -56.18 13.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 -179.893 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.08 -32.02 70.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 64.1 mt -72.59 -38.2 58.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.83 -41.82 78.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.863 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 6.3 mt -70.17 -44.15 78.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 -179.947 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -67.48 -43.98 79.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -64.99 -44.05 90.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -62.83 -51.44 67.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.03 -51.98 67.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 98.0 t -63.72 -32.65 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -69.2 -35.04 75.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -74.9 -48.89 22.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.965 -179.951 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.028 0.442 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -51.11 -47.94 61.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.29 -53.07 61.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.022 179.904 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.8 mp -51.91 -54.46 29.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.81 -63.76 1.04 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.875 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 51.6 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 179.865 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -29.95 22.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.824 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.45 -26.9 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.099 -179.889 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -69.3 -68.82 0.38 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.9 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.3 m -48.34 -44.27 34.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.2 mm -63.49 -45.4 97.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.17 179.921 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -63.33 -30.65 71.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.845 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -71.5 -55.39 7.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 13.3 pt -59.11 -39.25 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.141 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.94 -48.58 65.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 179.837 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -52.11 66.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.872 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.26 -44.06 97.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.783 -179.921 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 16.5 tp -54.38 -51.19 65.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -56.08 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -52.67 -38.93 61.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -64.74 -50.88 65.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 97.8 mt -57.12 -37.11 71.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -67.55 -62.27 1.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 179.741 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 13.6 p -54.19 -31.66 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.859 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 76.5 m -71.15 -47.93 54.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.132 -179.94 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -59.25 -45.69 90.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.983 179.903 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -37.46 74.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.8 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 26.4 t -59.35 -51.47 69.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -179.739 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.0 t -65.04 -25.96 68.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 -179.865 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.995 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.89 0.376 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 63.81 54.18 1.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.5 t -121.07 165.16 15.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.97 -34.06 19.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 -179.912 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.07 -48.01 63.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.855 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.4 -51.41 69.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.3 m -61.34 -44.04 97.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.98 -52.59 48.0 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.525 179.93 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.31 -38.62 96.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.929 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 tt -66.83 -38.87 87.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.71 0.29 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.1 mm -64.52 -54.71 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.054 0.454 . . . . 0.0 111.189 179.871 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.2 t -59.65 -40.58 88.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.969 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -64.86 -55.15 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.86 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -31.75 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.159 179.984 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -67.95 -48.8 64.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -62.24 -41.35 98.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.011 179.889 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -50.53 69.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.7 mt -56.29 -44.86 80.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.07 -53.2 51.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.833 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -57.93 -48.72 79.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -31.64 72.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -67.1 -51.35 55.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -72.36 -28.15 62.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.32 -34.72 61.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.07 -26.38 68.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.2 m -95.91 28.06 3.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 179.988 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 t30 61.99 28.35 17.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.93 35.92 92.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.433 179.972 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -87.41 110.49 20.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.1 -26.65 39.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.861 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -68.85 -46.18 69.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.786 179.998 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.02 -35.72 47.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.7 mtp -54.26 -31.94 54.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -130.98 32.45 4.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -80.48 -60.7 2.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.81 23.4 13.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -83.33 -27.03 30.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.33 -25.36 61.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.77 -39.35 4.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.32 70.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.044 179.796 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -54.95 -29.55 56.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -122.11 29.8 6.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -143.32 26.05 1.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.35 137.87 31.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.47 -25.97 18.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.4 mp -64.08 160.63 46.41 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.58 0.705 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.172 0 C-N-CA 122.633 2.222 . . . . 0.0 112.354 179.861 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.776 0.322 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.6 mt 70.86 -70.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.142 179.866 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.2 m -53.28 -49.6 66.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.91 -52.62 59.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.82 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.67 -47.92 85.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 179.958 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mp -55.03 -46.09 75.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -49.4 75.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.995 179.859 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.5 -50.87 72.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.808 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -55.65 -51.91 65.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.844 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -54.21 -44.9 72.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.791 -179.986 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -39.27 92.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.841 -179.759 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -64.35 -63.86 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 pp -51.79 -39.34 58.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.57 -39.35 88.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.796 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -67.08 -43.29 82.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.971 -179.881 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 8.7 ttt -74.61 -29.25 61.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -31.02 69.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -64.32 -37.0 85.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.58 93.74 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.6 mt -148.99 170.67 17.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -70.82 -176.25 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.28 -51.07 69.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.36 -45.11 41.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -55.94 -37.08 68.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.881 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -67.57 -49.48 63.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 179.82 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.23 -48.3 74.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.924 179.845 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.5 mmpp? -70.0 -39.92 75.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.94 -45.72 74.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.833 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.6 ttp85 -55.45 -50.08 70.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.05 -41.09 85.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.61 -46.73 89.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.97 -50.82 71.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -53.58 50.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.798 -179.894 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -54.0 -53.08 57.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 8.9 m -53.43 -47.5 69.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.903 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -62.81 -29.88 71.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.8 m -69.62 -56.62 6.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 -179.852 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.3 pp -60.9 -34.84 75.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 73.7 mt -69.35 -45.16 79.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.911 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -60.7 -47.8 84.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.2 mt -62.64 -52.64 57.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 -179.921 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.93 -47.95 83.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.819 -179.975 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -57.64 -41.26 81.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -63.05 -49.56 74.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -57.38 -52.15 66.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.957 -179.942 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.1 p -65.69 -29.21 46.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.906 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.32 -37.79 77.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.51 -47.83 25.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.862 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.6 tt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.999 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.526 0.032 0 CA-C-O 120.827 0.346 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -50.55 -34.61 26.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -65.97 -46.57 77.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.73 -50.89 70.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.87 -58.04 10.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 179.888 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.969 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.745 0.307 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -80.58 -27.13 37.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -26.9 12.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 -179.962 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -69.34 -70.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 95.1 m -49.15 -45.45 43.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.21 -46.52 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.919 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -62.08 -31.46 71.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -70.37 -55.26 9.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 20.0 pt -59.63 -36.05 63.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.18 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 11.8 mt -67.61 -56.15 10.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -60.45 -47.63 85.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 179.812 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 3.0 t -59.1 -45.38 91.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 19.7 tp -58.41 -55.07 39.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.008 179.86 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -52.98 -56.92 12.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.822 179.948 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -55.0 -49.12 72.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.847 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -54.63 -44.98 73.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.68 -48.59 81.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 -179.911 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -55.17 -49.83 70.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 179.814 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 39.2 t -58.52 -47.4 88.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.153 179.878 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 27.5 m -56.62 -43.64 80.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.71 -51.29 67.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.996 179.905 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -61.22 -33.62 73.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 28.4 t -67.1 -51.15 57.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.774 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.4 t -67.07 -23.88 65.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.096 -179.916 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.92 179.933 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.8 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.887 0.375 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 63.96 26.9 14.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 -179.903 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.0 p -93.66 170.41 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 -179.925 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 p -51.46 -44.31 62.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 179.946 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -53.84 -51.62 63.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.76 -179.831 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -60.89 -37.8 83.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.854 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.9 t -65.93 -50.17 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.234 179.86 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.58 -51.77 56.89 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.926 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.98 -39.7 97.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.488 -179.918 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.65 -52.64 42.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.774 0.321 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.7 mt -56.07 -43.24 74.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.882 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.5 p -63.69 -44.43 93.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.219 179.962 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -58.11 -55.16 38.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.779 179.895 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.5 p -60.72 -35.41 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 179.967 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.74 -48.24 82.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 179.935 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -66.87 -41.44 87.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.854 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -60.17 -43.88 95.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.9 mt -66.46 -49.25 76.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.259 179.865 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.4 t -55.7 -42.83 71.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 179.791 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -68.57 -44.31 74.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -64.78 -32.05 73.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -73.78 -51.23 17.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.899 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -28.7 67.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -64.1 -39.34 93.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 mp -53.72 -28.24 32.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.4 35.91 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 t30 57.39 30.37 18.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.64 45.17 96.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 179.963 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -91.81 110.8 22.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.36 . . . . 0.0 110.924 -179.891 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.7 p -57.3 -29.8 64.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -72.84 -37.56 67.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.816 -179.968 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.8 t -56.4 -26.45 53.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 21.0 mtp -62.82 -43.7 98.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -116.48 35.13 4.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -86.57 -69.18 0.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.29 27.13 7.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 179.964 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -80.09 -26.14 39.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.36 -65.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.102 179.9 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.75 -42.97 94.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.22 -39.51 63.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 179.731 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -68.05 -29.31 68.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -105.78 32.14 4.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -148.6 26.09 0.94 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.67 133.45 37.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 179.953 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -75.73 -22.83 56.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.863 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.8 154.66 78.22 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.577 0.703 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.145 0 C-N-CA 122.731 2.287 . . . . 0.0 112.353 179.838 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.801 0.334 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 33.8 mt -119.28 -32.33 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 179.912 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.0 p -61.52 -37.9 85.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.7 m -61.41 -52.18 65.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.78 -51.23 60.25 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -49.84 73.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.943 0.401 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 21.2 mt -54.67 -49.39 70.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -48.48 75.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -58.3 -43.62 88.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.845 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -58.92 -46.27 88.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.906 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.9 m -63.91 -39.34 93.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -62.57 -63.96 1.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.4 pp -53.74 -38.3 64.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.91 -40.92 97.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 179.957 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -64.92 -52.1 58.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -66.2 -27.25 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 179.888 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -32.27 71.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.8 -45.37 92.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.897 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -122.04 94.3 4.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.1 mt -149.08 178.01 9.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -77.06 -176.03 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.854 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -65.18 -51.02 63.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -66.94 -51.78 51.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -54.78 -34.13 62.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.65 -53.08 17.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.978 179.863 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -54.24 -39.24 66.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.855 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -79.32 -33.14 43.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.949 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.49 81.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.068 179.798 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -55.59 -49.33 73.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.2 t -60.95 -41.6 89.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.55 -48.94 77.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -57.71 -54.03 51.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.992 179.888 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -53.98 -51.0 65.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.28 -51.86 65.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 9.2 m -52.84 -45.93 67.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 -179.878 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -60.31 -44.02 95.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 179.949 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.5 m -62.74 -56.04 21.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.6 -51.98 63.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 97.0 mt -57.67 -39.6 70.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.06 179.875 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.22 -48.32 82.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 51.0 mt -67.4 -52.17 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.173 179.938 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -56.57 -44.75 81.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -62.81 -48.77 77.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -49.07 69.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -60.72 -52.09 66.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 90.3 t -55.67 -55.03 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -54.16 -42.34 69.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.807 179.978 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -68.45 -29.35 67.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.862 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.962 -179.966 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.2 p . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.937 0.398 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -50.84 -46.63 60.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -57.99 -49.87 75.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.01 179.888 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 18.2 mt -54.32 -55.92 23.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.908 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.7 -61.99 1.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.845 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 64.0 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.96 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.835 0.35 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -58.99 -26.44 64.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.91 -25.26 19.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 -179.938 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -69.34 -70.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.86 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 11.6 m -50.31 -45.18 54.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.02 -48.71 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 179.866 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.69 -32.22 71.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 179.878 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -54.37 18.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 18.3 pt -62.95 -38.76 82.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.88 -59.27 3.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -31.79 63.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.91 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 32.8 t -70.15 -52.03 26.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.0 tp -57.27 -45.25 84.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -51.73 67.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 181' ' ' LYS . 13.2 mm-40 -58.41 -37.34 75.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.931 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -73.7 -29.43 62.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -49.29 23.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -61.66 -45.36 94.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.774 179.897 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 33.4 m -66.93 -39.38 83.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.106 179.965 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 12.0 m -66.4 -35.44 80.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 179.987 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -71.98 -48.52 44.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -68.41 -27.93 66.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 -179.971 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 30.0 t -75.31 -52.04 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.847 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.8 t -63.87 -24.93 67.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.965 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.796 0.331 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 63.36 47.95 3.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 p -98.34 163.35 12.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.105 -179.969 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.91 -47.11 64.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.081 -179.915 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.7 m -51.56 -51.45 55.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -60.04 -38.75 83.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.0 -179.925 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.3 t -62.39 -54.4 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.961 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.12 -52.4 51.61 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.23 -40.81 94.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.451 -179.899 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -48.86 73.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.741 0.305 . . . . 0.0 110.906 -179.812 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.6 mm -56.17 -42.33 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.206 179.779 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.9 p -65.59 -44.43 86.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.246 179.842 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -58.61 -55.14 38.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.869 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.9 p -59.49 -36.2 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 58.2 t90 -64.99 -43.3 93.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -45.08 94.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.4 mt -63.17 -44.46 99.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.1 t -59.31 -46.14 92.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 179.872 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -67.68 -43.98 78.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -31.92 73.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 179.895 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -72.74 -51.21 20.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.16 -28.68 66.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 -179.916 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -53.89 -37.51 63.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.0 mt -55.16 -33.95 63.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.6 m -96.47 40.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 54.95 30.23 13.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.86 41.04 95.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.51 179.946 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -95.01 110.22 22.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 110.831 -179.841 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.3 p -55.18 -28.94 56.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.82 -179.871 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -61.55 -39.34 90.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.7 t -55.1 -29.4 57.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 7.8 mtt -65.92 -48.98 69.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -102.66 35.52 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -88.74 -60.38 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.927 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -121.15 37.96 4.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -103.89 31.07 4.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.786 -179.945 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.93 -25.45 8.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.95 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.87 -34.5 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.97 -41.0 74.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.759 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -53.82 -29.03 38.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -115.31 35.31 4.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -156.18 28.84 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.38 134.48 38.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -25.31 65.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mt -79.02 154.78 77.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 0.0 110.936 179.869 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.464 -0.222 0 C-N-CA 122.8 2.333 . . . . 0.0 112.345 179.811 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.687 0.279 . . . . 0.0 110.808 . . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 78.3 mt -113.76 -24.04 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 179.885 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.6 p -66.94 -42.44 85.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -52.63 59.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.82 -179.784 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.3 -51.09 60.94 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 -179.996 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mp -52.78 -53.04 53.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.941 0.401 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -49.16 72.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -52.72 -47.8 67.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -59.84 -46.62 88.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.885 -179.841 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -54.62 -46.65 73.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.7 t -65.38 -39.47 92.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.943 -179.834 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -59.72 -64.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.929 -179.862 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.2 pp -53.74 -43.22 68.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -56.2 -43.55 78.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -65.4 -41.1 94.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.6 ttt -66.6 -35.8 81.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.407 ' HG3' ' HB1' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -51.94 -43.9 63.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.997 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -59.03 -19.94 48.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -136.16 85.8 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.3 mt -149.5 155.74 40.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.018 179.909 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -68.26 -176.03 0.69 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -64.07 -51.15 65.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.841 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -70.42 -46.37 64.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -55.9 -46.7 78.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -58.41 -48.52 80.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.83 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.63 -50.36 65.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -68.12 -36.92 80.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.407 ' HB1' ' HG3' ' A' ' 107' ' ' LYS . . . -54.96 -48.16 73.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.851 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -52.9 -49.16 66.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.6 t -61.24 -38.52 79.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -50.68 61.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -61.74 -30.03 70.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.993 179.899 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -70.28 -52.05 25.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -61.27 -39.18 89.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.9 m -65.4 -49.54 68.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.875 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -60.1 -36.57 77.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 18.7 m -67.01 -55.95 12.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 -179.856 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -33.25 69.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 41.9 mt -70.54 -43.18 78.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.891 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -64.14 -40.95 97.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 89.3 mt -66.62 -51.86 52.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -63.65 -50.19 70.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -57.38 -41.93 81.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -63.54 -47.15 82.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.55 -52.23 65.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 33.8 m -67.27 -33.54 63.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 11.9 tttp -70.0 -27.24 64.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.86 -45.58 14.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 179.813 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.029 0 CA-C-O 120.908 0.385 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -50.91 -41.4 58.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.88 94.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.161 179.861 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.86 -57.44 9.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.5 -53.17 59.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 72.9 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 -179.996 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 78.7 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.802 0.334 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -64.84 -43.12 94.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.807 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.14 -26.87 12.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 -179.881 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -69.83 -69.69 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.1 m -48.77 -44.39 38.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.87 -46.32 96.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 179.848 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -61.24 -33.42 73.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -55.3 9.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.3 pt -61.12 -36.24 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.208 -179.985 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 18.6 mt -67.31 -52.32 41.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -58.03 -41.42 83.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 179.885 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 3.1 p -64.22 -47.5 79.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.0 tp -56.53 -53.49 56.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.24 -56.07 26.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 179.942 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -56.85 -30.03 63.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -76.1 -32.51 59.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.816 -179.867 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 44.3 mt -72.33 -45.68 58.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -43.0 71.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.87 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 5.4 p -66.67 -33.24 62.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.136 179.846 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 18.6 m -75.54 -42.58 52.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.198 179.995 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -64.1 -40.99 97.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 179.953 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -74.38 -47.47 33.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 32.1 t -54.83 -52.21 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.9 t -66.32 -21.55 66.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.94 179.949 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.9 t . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.836 0.35 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 63.76 29.83 14.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.82 -179.917 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -97.26 176.9 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 -179.981 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.05 -30.59 66.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 -179.876 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.7 m -68.95 -45.75 69.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -59.9 -51.32 70.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.1 m -61.59 -42.73 95.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.82 -52.28 53.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.44 179.986 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.42 -37.97 95.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.47 -179.938 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tt -66.41 -40.44 89.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.824 0.345 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.0 mm -64.84 -49.63 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.863 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.9 p -61.56 -44.81 96.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -62.53 -54.99 31.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -31.83 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.99 -48.83 67.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.994 179.899 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -62.52 -41.38 98.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.85 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -50.45 70.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.9 mt -57.25 -44.74 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.0 t -59.54 -57.06 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.023 179.911 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -57.9 -45.37 86.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.9 ttt -63.17 -31.85 73.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -69.67 -51.21 36.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -70.52 -28.49 64.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.997 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -53.86 -34.85 60.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.9 mp -55.3 -33.4 63.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.9 m -96.42 34.57 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.878 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 t30 62.24 26.83 16.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.06 39.09 96.1 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.538 -179.991 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -93.22 112.22 24.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.763 0.316 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.9 p -55.29 -26.85 42.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 -179.794 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.02 -47.08 81.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -27.59 38.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 30.9 mtp -65.22 -34.82 79.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.851 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -121.3 28.5 7.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -98.0 -56.17 2.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.781 -179.953 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -96.29 26.28 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.839 179.979 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -96.19 26.42 4.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.804 -179.933 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.29 -29.47 7.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.884 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.57 -38.96 3.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.56 -37.42 83.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 179.857 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -67.52 -29.06 68.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -105.22 27.1 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -139.16 26.63 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.59 133.19 49.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.75 25.74 10.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.874 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.5 mp -84.11 160.61 57.22 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.574 0.702 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.741 2.294 . . . . 0.0 112.299 179.909 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 mttm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.769 0.318 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 43.6 mt -115.55 -29.14 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.883 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -50.08 65.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.874 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 t -59.0 -51.98 67.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.93 -51.0 59.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.607 179.946 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 30.9 mt -54.59 -53.6 52.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.903 0.383 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.06 -49.11 67.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.4 -51.67 64.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.899 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -54.69 -49.03 71.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.986 -179.884 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -54.33 -49.72 69.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.918 179.86 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.1 m -61.22 -36.32 79.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.75 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -63.43 -64.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.835 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 pp -55.22 -35.13 64.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.006 179.91 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -66.15 -41.61 90.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.867 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -65.79 -52.14 53.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.858 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 13.1 ptm -63.77 -32.38 73.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -67.45 -25.99 66.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -59.86 -39.21 84.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.959 179.903 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -125.94 96.57 4.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.808 -179.962 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.9 mt -145.48 173.68 11.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -73.35 -175.89 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.4 -51.18 68.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.8 179.863 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -72.08 -48.01 47.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -55.92 -33.93 65.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -67.37 -46.08 74.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.939 179.818 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.49 -46.01 91.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 179.881 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -68.78 -47.4 66.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.96 -43.34 73.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 179.917 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -49.65 72.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.2 t -61.69 -43.31 96.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.2 mp -55.98 -50.19 71.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.1 tm0? -61.24 -48.16 82.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -55.56 -53.27 58.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.01 -55.21 33.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.3 m -56.25 -44.32 79.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.209 -179.958 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -53.36 53.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 97.5 m -61.7 -37.29 83.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.065 -179.816 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.09 -52.06 64.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 27.9 mt -61.06 -38.08 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.819 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -46.23 88.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.859 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 20.0 mt -63.41 -53.01 50.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.152 179.958 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -59.84 -50.02 75.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -61.7 -37.83 85.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.56 -53.4 56.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -60.87 -51.82 67.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.7 t -57.89 -40.08 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -67.01 -39.72 87.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -48.02 79.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.886 179.869 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.9 tt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.933 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.908 0.385 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -56.34 -49.08 75.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 179.973 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.91 -49.57 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.934 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.6 mp -56.92 -59.94 4.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 15.5 mt -53.32 -55.34 25.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.817 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 72.6 p . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 -179.988 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.726 0.298 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -71.33 -32.31 68.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -26.07 15.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.174 -179.895 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -69.75 -70.08 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.4 m -49.42 -45.21 46.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.68 -49.95 82.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.892 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -61.3 -29.59 69.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -55.49 9.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.811 -179.848 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 21.3 pt -60.39 -35.67 64.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.08 -51.62 52.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.956 179.879 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -57.01 -48.01 79.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.811 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 2.7 p -61.03 -46.63 89.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.9 tp -55.56 -48.12 75.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -54.5 45.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -54.61 -50.24 68.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.49 -34.65 74.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 4.3 mt -63.86 -61.73 2.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -44.43 68.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.83 179.807 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 77.0 t -60.97 -41.52 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.15 179.914 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 74.3 m -63.24 -44.49 95.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -179.947 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -43.82 96.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -70.24 -33.67 71.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.856 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 29.3 t -72.37 -52.14 17.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.763 -179.737 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.6 t -65.34 -16.94 64.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.935 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.947 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.9 0.381 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 61.93 33.31 17.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.6 p -96.61 165.97 11.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.246 179.956 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.22 -33.78 42.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 m -69.05 -44.65 72.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -51.06 70.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 m -60.67 -42.14 90.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 -179.952 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.24 -53.39 46.7 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.519 179.985 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.09 -44.75 97.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.909 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.84 -44.46 96.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.9 mm -57.58 -42.52 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.8 p -66.5 -43.25 85.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -55.48 34.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.07 -39.94 79.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.17 179.912 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.99 -49.06 72.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.996 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -66.9 -38.84 86.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.69 -43.59 98.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 65.3 mt -65.42 -49.13 80.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.07 -179.973 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.2 t -55.02 -58.7 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.892 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -46.84 78.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -31.6 70.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.992 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 -71.85 -51.34 22.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -67.98 -28.92 67.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -55.13 -35.36 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.25 -29.74 70.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -96.11 32.87 1.83 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 179.908 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.82 32.38 15.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.86 44.11 98.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.441 179.869 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -100.25 113.26 25.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.824 0.345 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 85.5 p -63.04 -39.49 94.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -26.61 67.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.0 t -65.97 -26.69 67.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.1 mmm -72.85 -41.64 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -96.84 31.39 2.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -92.93 -61.64 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -99.66 30.03 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.803 179.99 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -97.72 30.5 2.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.63 -30.14 5.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.057 179.962 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.6 -38.83 3.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.78 -34.56 65.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.831 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.13 -28.71 58.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -122.63 38.97 4.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -154.05 28.68 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.951 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.5 139.6 34.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -25.46 45.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.52 154.69 78.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.687 0.756 . . . . 0.0 110.926 179.894 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.233 0 C-N-CA 122.684 2.256 . . . . 0.0 112.411 179.826 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.0 mttt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.731 0.3 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.5 mt -103.47 -24.43 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 179.891 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -50.03 68.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.894 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.4 t -56.49 -51.9 66.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.723 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.43 -52.04 54.14 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.443 179.993 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.24 -38.67 87.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.84 0.353 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -48.91 76.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.976 179.839 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -52.38 65.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.914 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -54.81 -46.57 74.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -57.67 -49.66 75.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.812 179.941 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.8 m -61.89 -31.94 72.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.8 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -67.95 -64.29 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.4 pp -52.79 -39.79 62.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -43.59 86.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -59.61 -44.94 93.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 18.9 ttp -75.0 -28.04 60.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.841 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -66.19 -31.24 71.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -59.84 -33.88 72.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -129.62 98.21 4.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 -179.961 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.6 mt -149.06 173.99 12.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -66.42 -176.17 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.834 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -62.94 -51.16 67.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.904 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.61 -44.75 41.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -55.8 -37.21 68.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -67.31 -43.8 80.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.26 -48.51 81.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.788 179.935 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -69.7 -44.11 71.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.77 -44.12 73.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.089 179.839 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -55.88 -49.84 72.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.47 ' O ' ' HG3' ' A' ' 123' ' ' ARG . 46.2 t -63.38 -32.8 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.902 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.09 -36.5 74.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -71.39 -54.07 11.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -53.75 -44.84 70.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.892 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.444 ' N ' ' HE ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -64.31 -44.58 91.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.96 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 69.2 m -56.75 -45.0 82.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.906 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.2 -41.87 94.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.4 m -61.86 -56.01 23.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -179.894 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.88 -34.82 75.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 23.2 mt -69.76 -33.68 57.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.869 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -72.15 -41.92 66.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.9 mt -67.2 -46.95 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -65.57 -49.97 66.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -60.24 -40.35 89.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -63.19 -53.54 51.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.21 -49.01 73.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.7 t -64.03 -42.9 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -45.16 79.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -74.88 -30.61 61.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.832 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.857 0.36 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.7 -47.5 63.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -63.15 -36.3 83.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.86 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 40.7 mt -62.5 -60.16 3.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 12.8 mt -56.37 -50.64 70.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.989 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.836 0.351 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 10.6 ptt-85 -62.06 -26.77 68.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.74 -26.64 5.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 -179.95 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.45 -69.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.859 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.0 m -48.38 -42.33 31.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.9 mm -65.99 -43.72 92.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -63.09 -34.99 78.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.923 179.918 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -55.01 10.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.86 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 20.1 pt -60.36 -35.61 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.164 179.906 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 18.1 mt -67.69 -53.48 27.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -58.55 -46.47 86.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.758 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 6.0 t -62.69 -42.21 99.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 7.0 tp -59.1 -55.79 30.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.54 -51.72 67.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -54.39 -50.14 68.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -63.73 -34.88 78.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.56 -67.25 0.44 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.891 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -43.67 63.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.777 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 19.0 t -59.66 -41.8 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 179.834 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 55.2 m -64.68 -50.82 65.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.052 -179.946 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.06 -52.37 63.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -64.98 -33.36 75.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.88 -51.48 64.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.753 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.7 t -66.72 -24.4 66.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.818 -179.948 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.866 0.365 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 63.39 26.01 14.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 t -97.59 160.67 14.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.981 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.98 -35.41 46.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.93 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 t -67.7 -43.4 80.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.859 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -62.29 -51.25 68.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 m -61.83 -39.79 84.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.888 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.46 -52.81 48.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 179.934 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.58 -35.62 92.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.89 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.2 tt -69.02 -39.34 79.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.3 mt -65.14 -49.05 81.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.149 179.865 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.7 t -62.63 -39.83 95.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -62.3 -55.35 29.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.7 p -60.2 -33.48 53.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 179.896 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -49.06 77.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -64.43 -41.96 96.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -61.04 -41.99 97.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.953 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.7 mt -64.26 -47.42 89.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 -179.952 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.8 t -58.58 -42.23 84.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 179.86 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.69 -42.29 64.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -31.61 72.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.2 ttp85 -77.13 -51.15 11.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.5 pttp -67.36 -28.65 68.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -54.13 -39.3 66.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.809 179.981 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.7 mt -56.28 -28.73 59.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.4 m -96.55 27.28 3.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.827 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.48 32.3 20.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 59.02 44.93 95.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.552 179.964 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -98.94 116.45 31.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -59.34 -31.73 69.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -64.4 -41.74 96.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.71 -26.71 64.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.6 mtp -69.35 -46.41 67.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -99.57 29.52 4.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -87.63 -53.57 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.14 23.05 14.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.805 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -98.75 29.71 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.32 -32.72 6.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.2 -26.42 7.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.37 -35.14 64.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.19 179.848 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -54.61 -27.4 39.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -121.7 35.22 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -146.29 27.35 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.826 -180.0 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.14 133.11 52.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.889 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -90.66 -24.22 20.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.805 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mp -65.43 160.66 57.5 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.671 0.748 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.215 0 C-N-CA 122.667 2.245 . . . . 0.0 112.394 179.827 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.753 0.311 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 57.6 mt -110.95 -23.96 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.7 p -71.06 -48.47 52.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.898 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.54 -48.4 72.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.845 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.17 -52.44 47.4 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mp -58.21 -55.5 34.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.863 0.363 . . . . 0.0 110.943 -179.878 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -47.68 67.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -54.74 -51.52 65.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -55.77 -47.0 77.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.959 -179.879 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -55.04 -48.07 73.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.809 179.94 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.1 p -62.92 -37.1 85.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -62.14 -62.95 1.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 pp -55.68 -37.14 67.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -63.2 -42.28 99.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -69.4 -37.1 77.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.878 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.2 ttp -75.22 -28.39 59.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.81 179.934 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -67.45 -28.17 67.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -59.88 -33.59 72.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -132.33 97.09 4.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 179.917 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.1 mt -148.81 178.03 9.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -176.05 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 179.811 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.09 -51.14 63.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.865 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -75.92 -42.83 47.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -55.88 -42.82 76.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -67.89 -48.04 67.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -50.05 61.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.838 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -72.71 -36.85 67.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.94 -45.52 74.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.002 179.912 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -55.52 -50.05 71.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.889 -179.859 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 78.1 t -60.39 -41.89 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -46.08 86.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -64.71 -40.66 95.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.06 -55.0 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.807 -179.938 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -37.82 86.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 86.4 m -59.88 -44.53 94.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 -179.914 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.94 -37.88 82.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 23.0 m -64.21 -56.56 13.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 -179.842 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.4 pp -61.53 -38.23 86.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 22.3 mt -65.81 -36.41 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 179.773 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -41.45 74.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 6.7 mt -64.91 -52.41 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.954 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.83 -50.27 72.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -57.94 -39.73 78.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.888 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -63.12 -51.63 65.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.76 -51.96 65.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.876 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.2 p -65.96 -28.06 42.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -39.54 78.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.21 -40.78 51.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.758 -179.945 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.6 m . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -51.5 -51.02 58.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.75 -34.24 74.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.795 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 47.7 mt -63.58 -58.78 5.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.55 -50.46 71.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 60.4 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.217 179.945 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.83 0.347 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -37.16 84.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.882 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.32 -26.51 12.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.907 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -69.43 -70.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 179.868 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.9 m -48.64 -45.57 38.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.219 -179.992 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.39 -47.02 95.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -61.67 -32.96 73.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 179.967 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -55.16 11.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.9 pt -60.8 -35.95 67.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 179.938 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.52 -51.74 53.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 179.853 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -58.3 -46.89 85.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.793 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 2.6 t -60.03 -45.45 92.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.0 tp -57.63 -54.99 40.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -53.44 -57.07 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.9 -50.15 69.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -55.13 -41.7 72.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.899 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 48.6 mt -63.58 -40.54 97.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -66.02 -53.54 37.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.778 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 27.0 m -60.09 -34.16 55.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.046 179.941 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 89.7 m -73.11 -37.25 66.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.99 -36.84 75.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -80.64 -31.41 36.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.792 -179.954 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 10.9 m -74.92 -49.98 18.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.9 t -52.04 -29.63 21.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.104 -179.901 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 179.978 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.872 0.367 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 63.53 27.75 15.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 179.987 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.8 p -83.53 177.01 8.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.12 -33.58 74.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -43.58 78.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -50.5 71.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 m -62.33 -39.34 83.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.65 -52.87 48.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.437 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.12 -36.06 92.49 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 -179.924 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 tp -66.9 -39.25 87.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.753 0.311 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.9 mt -66.99 -52.95 38.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.878 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -57.81 -40.48 80.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 -179.98 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -64.53 -54.85 25.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.828 179.985 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.99 -31.34 45.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.102 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.97 -48.82 67.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.0 t90 -63.08 -40.85 98.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -49.56 74.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 37.9 mt -58.56 -44.14 88.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.079 -179.992 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.5 t -60.31 -47.22 93.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.845 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -66.76 -43.52 83.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.5 ttt -65.81 -32.04 73.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -72.13 -50.81 25.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.981 -179.953 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -69.95 -28.98 66.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -53.87 -33.5 56.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.975 179.926 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.0 mt -56.42 -36.3 68.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.17 29.84 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 t30 61.79 38.77 14.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 53.75 42.74 68.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -100.75 114.72 28.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.1 m -55.68 -26.79 46.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 -179.836 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.56 -29.35 66.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.802 179.999 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.65 -26.28 37.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 -179.891 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.5 mmm -74.07 -31.08 62.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -118.74 27.82 8.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.945 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -81.82 -65.85 0.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.09 40.09 1.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -95.92 26.24 4.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.04 -43.89 1.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.65 -34.02 14.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.83 -31.91 29.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.152 179.743 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -55.95 -34.05 65.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -106.01 25.51 10.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -151.12 24.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.34 -55.84 2.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 179.944 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.65 21.59 8.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.817 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.3 mt -84.1 159.37 59.85 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 179.89 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.756 2.304 . . . . 0.0 112.348 179.848 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.9 mttt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.807 0.337 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.0 mt 71.16 -68.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.872 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.69 -50.04 55.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.9 t -54.91 -52.7 62.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.06 -50.56 66.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 -179.949 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.4 mp -52.37 -45.98 65.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -49.24 77.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -56.11 -56.34 21.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -54.05 -44.91 71.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -55.02 -50.25 69.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.7 m -62.04 -34.39 76.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -63.98 -64.41 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.1 pp -53.12 -39.83 63.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -66.39 -36.63 83.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -65.48 -52.09 55.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.813 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.5 ppp? -69.81 -27.26 64.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.856 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -66.73 -32.42 73.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -59.66 -28.69 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -136.73 96.91 3.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.5 mt -148.53 169.67 19.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -63.76 -176.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.823 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -63.66 -51.36 65.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 179.941 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -72.73 -47.19 49.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -55.69 -34.83 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -67.52 -46.16 73.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -59.85 -45.26 92.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.856 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -72.35 -34.38 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 179.916 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.9 -35.63 80.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.778 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -64.9 -50.64 65.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.9 p -64.96 -37.15 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.886 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.98 -47.58 79.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -62.52 -50.51 71.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -54.25 -53.21 56.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -57.74 -41.43 81.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 89.2 m -60.06 -43.77 95.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 -179.902 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -67.87 -33.29 74.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 28.0 m -67.86 -56.74 7.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 -179.931 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.0 pp -61.32 -39.58 91.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 45.5 mt -67.13 -37.79 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -67.66 -40.46 84.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.0 mt -66.05 -52.39 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -62.6 -50.03 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.43 -39.93 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -63.09 -50.83 69.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -56.32 -52.18 65.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.4 p -65.69 -28.77 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 180.0 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -69.09 -39.63 78.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.97 -38.79 57.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.809 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 12.7 m . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.915 0.388 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.93 -50.86 60.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.14 90.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.061 179.91 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.91 -64.98 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 8.5 mt -52.74 -52.79 54.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 67.5 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.169 179.987 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.754 0.312 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.97 -26.85 33.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.68 -26.64 5.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 -179.932 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -69.56 -68.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 179.924 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.0 m -48.37 -45.83 36.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 -179.988 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.2 mm -61.96 -48.28 89.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -62.24 -29.37 70.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.05 -55.27 8.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 18.5 pt -59.4 -36.79 66.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.072 -179.966 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 1.1 tp -67.35 -53.41 29.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp -54.76 -46.57 74.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 6.3 p -61.34 -50.66 72.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.991 0.424 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.1 tp -52.49 -50.65 62.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -57.47 -56.84 16.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.39 -29.86 62.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -74.88 -35.35 62.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 5.4 mt -70.44 -46.87 63.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -46.43 76.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.957 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 9.2 p -64.36 -33.99 66.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.136 179.829 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 17.3 m -72.36 -40.99 66.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.98 -40.7 87.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.69 -32.66 60.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.839 179.928 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 28.0 t -67.7 -51.17 52.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.74 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.3 t -55.7 -25.18 38.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.073 -179.972 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 -179.958 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.812 0.339 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 63.46 21.57 12.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.0 t -98.21 166.01 11.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.207 179.972 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.25 -34.02 30.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -67.73 -42.26 82.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.808 -179.839 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -50.99 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.0 m -61.87 -39.84 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.02 -52.94 46.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 179.978 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.32 -36.34 93.28 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.515 -179.936 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 tt -69.54 -36.38 76.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.7 mt -67.05 -46.58 84.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.852 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.7 t -67.12 -39.18 86.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 179.971 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -63.54 -55.64 22.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.9 p -60.73 -36.16 69.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mp -60.56 -49.09 78.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -64.1 -42.9 96.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 179.841 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -60.32 -42.83 96.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.6 mt -63.41 -46.84 94.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.4 t -58.8 -43.18 87.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.172 179.836 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.48 -42.54 67.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.794 -179.964 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.9 ttt -65.74 -31.71 72.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.817 -179.967 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.67 -51.18 13.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.857 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -28.77 67.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -55.76 -35.39 66.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.921 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.3 mt -54.88 -30.14 57.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.36 32.82 2.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.908 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 57.8 30.13 18.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.5 45.94 95.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.417 179.915 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -90.08 109.16 20.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 m -52.64 -41.16 63.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.803 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.9 -37.93 89.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.4 t -59.04 -26.24 64.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 -179.929 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 40.6 mtp -66.78 -51.77 51.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -97.07 25.95 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -84.17 -52.87 5.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -102.83 31.29 4.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.86 25.95 4.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.46 -35.87 3.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 179.911 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.66 -26.89 13.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.955 179.97 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.5 -32.67 58.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.829 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -55.3 -26.58 41.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.05 25.91 10.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.812 -179.892 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -139.81 25.82 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.2 mt -104.31 -66.83 0.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 58.67 21.93 9.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.872 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 mp -83.97 160.85 57.09 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.528 0.68 . . . . 0.0 110.945 179.889 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.201 0 C-N-CA 122.621 2.214 . . . . 0.0 112.338 179.858 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.761 0.315 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.0 mt 71.08 -69.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.0 p -53.04 -50.28 64.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.813 -179.937 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 m -58.7 -52.43 65.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.35 -44.32 95.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.946 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.6 mp -59.62 -45.12 92.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.348 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -49.09 78.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -56.8 -55.28 36.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -54.0 -46.15 71.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.955 -179.829 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -55.48 -49.24 73.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.5 m -62.24 -35.44 78.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 -179.863 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -63.59 -63.47 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 pp -55.67 -37.19 67.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.89 -38.97 90.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.918 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -67.12 -52.09 45.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -67.21 -28.21 67.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.852 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.08 -33.74 71.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -62.96 -35.27 79.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.881 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -121.35 93.96 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.931 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.4 mt -149.14 170.24 18.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -68.85 -176.32 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.941 179.853 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.95 -51.19 67.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.801 179.915 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -76.02 -43.14 45.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.876 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -55.8 -39.55 71.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 179.842 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -68.3 -46.8 69.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.013 179.747 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.17 -47.55 75.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 179.834 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -38.59 65.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.95 -47.0 75.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.794 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -55.48 -50.2 70.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.44 -40.45 81.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.201 179.951 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -48.61 81.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.96 179.905 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.1 -36.27 83.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.974 179.887 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -62.45 -54.38 40.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.13 -38.6 86.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.849 179.914 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 44.5 m -61.18 -49.7 76.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.249 -179.94 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -59.6 -46.92 87.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 88.4 m -58.08 -55.51 34.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.892 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.97 -52.24 66.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.961 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 61.8 mt -54.15 -35.2 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.161 179.807 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -71.25 -39.15 71.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.874 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 9.4 mt -63.73 -52.35 58.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -64.83 -50.09 68.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -56.65 -40.68 75.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -65.46 -50.54 64.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -54.67 -52.12 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.08 -30.63 50.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.078 -179.965 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -63.67 -45.16 91.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -79.23 -30.47 43.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.842 179.836 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.997 -179.999 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.911 0.386 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -51.74 -49.8 61.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -52.21 -52.88 49.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.854 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.7 mp -54.81 -49.98 69.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.84 -63.05 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.891 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 43.1 p . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.896 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.825 0.345 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -25.9 59.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.75 -26.38 5.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -179.895 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.67 -69.03 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.852 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.4 m -48.46 -45.92 37.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 37.8 mm -61.47 -50.94 78.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -61.81 -28.11 69.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -70.65 -55.34 8.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.3 pt -61.27 -36.4 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.068 -179.967 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.29 -52.46 40.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -56.01 -50.26 71.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.839 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.35 -43.4 96.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 -179.82 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.5 tp -55.88 -57.78 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.43 -55.77 25.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -52.95 -45.48 67.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.857 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -56.49 -47.21 79.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 73.2 mt -61.53 -38.57 87.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -61.65 -60.18 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.831 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 6.6 p -56.5 -38.48 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.898 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 78.9 m -59.61 -51.0 71.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 -179.932 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 6.6 tp -63.97 -36.53 84.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.924 179.917 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -68.44 -32.18 72.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 11.5 t -74.43 -52.08 13.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 6.1 t -55.65 -28.6 56.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.964 179.951 . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.5 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.87 0.367 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 61.08 23.04 13.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 -179.901 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -103.84 170.82 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.96 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.64 -36.06 44.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.097 -179.983 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 m -68.46 -43.13 77.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -50.66 70.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.1 m -61.53 -40.65 87.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.24 -53.08 47.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.999 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.87 -39.14 97.64 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.498 -179.919 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.8 tt -64.94 -44.72 88.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 110.943 -179.92 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.26 -42.74 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.842 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.4 p -63.97 -46.43 84.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -58.6 -55.48 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.7 p -59.88 -35.02 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 -179.967 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 mp -60.28 -48.97 79.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -65.19 -42.6 93.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.875 179.891 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.27 -40.71 98.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.9 mt -64.06 -46.83 92.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.958 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.1 t -60.49 -45.98 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 179.828 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -42.19 79.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.8 ttt -66.64 -31.81 72.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 179.909 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -74.71 -50.49 17.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.826 -179.854 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -28.8 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.99 -35.27 61.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 -179.952 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.8 mp -58.6 -31.23 67.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.6 m -95.98 32.28 1.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t30 58.27 26.63 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.985 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.7 37.86 85.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 179.901 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -90.73 109.59 20.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.82 -179.819 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.0 t -56.76 -28.15 60.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -68.52 -33.21 73.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.826 -179.99 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.81 -27.05 69.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.907 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.8 mtp -64.34 -49.19 72.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -110.38 32.13 5.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.824 -179.989 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -71.56 -52.23 19.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.31 26.33 8.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -74.06 -26.55 60.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 179.999 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.95 -26.31 35.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.87 -38.77 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.957 -179.976 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.95 -28.45 67.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.094 179.739 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.68 -29.79 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -123.28 31.94 5.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -135.34 26.24 3.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.08 133.09 48.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -26.19 23.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 179.76 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.9 mp -64.02 160.69 45.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.634 0.73 . . . . 0.0 110.973 179.841 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.399 179.83 . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.9 mt -119.3 -35.4 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.156 179.909 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -50.11 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.9 p -54.15 -52.04 62.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.72 -50.91 62.36 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.574 179.953 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.32 -54.0 46.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -49.14 71.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -54.11 -49.88 68.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -56.55 -49.12 75.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.795 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.43 ' HE2' ' HB2' ' A' ' 126' ' ' GLU . 34.5 t-80 -54.18 -49.25 69.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.833 179.962 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.3 m -61.86 -36.67 81.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.761 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -62.85 -64.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 -179.915 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.4 pp -54.01 -38.23 64.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.17 -33.74 75.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -69.21 -52.09 31.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.959 -179.897 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -67.93 -31.54 71.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.97 -28.42 69.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.824 179.99 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -60.2 -40.13 89.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.946 179.924 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -129.18 99.16 5.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.2 mt -145.42 177.91 8.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -78.28 -175.84 4.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.855 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -51.5 67.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.809 179.949 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -71.72 -48.61 45.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.862 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -55.49 -32.88 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -67.18 -50.51 60.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.881 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -57.84 -43.15 85.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.5 mmpp? -70.4 -36.58 74.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.951 179.885 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.92 82.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -49.77 75.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 4.5 p -69.72 -31.61 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 -179.991 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -52.55 35.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -66.18 -33.78 76.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.2 mtp85 -66.6 -53.09 38.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -58.16 -54.54 45.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.89 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.1 m -56.72 -44.69 81.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 -179.905 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.43 ' HB2' ' HE2' ' A' ' 100' ' ' HIS . 57.5 tt0 -53.94 -53.64 50.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.949 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 98.5 m -60.91 -36.4 79.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 -179.964 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.29 -51.99 60.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 30.4 mt -59.54 -37.21 69.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -65.42 -45.49 83.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.88 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 19.0 mt -62.55 -53.07 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -58.62 -49.98 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -57.7 -41.56 81.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -66.3 -36.73 83.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 179.957 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.58 -52.05 43.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.97 -35.71 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.08 -179.982 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -68.94 -40.26 79.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -78.34 -26.01 46.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 179.944 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.955 . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -51.37 -47.02 62.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.721 -179.908 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.69 -55.1 36.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 179.935 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.7 mp -51.76 -51.36 56.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.57 -64.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 179.903 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 73.2 p . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.042 -179.989 . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.796 0.331 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -71.76 -26.72 62.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 1.8 m -50.61 -27.6 7.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.187 -179.895 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -69.61 -69.39 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.3 m -49.25 -34.25 14.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.889 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -68.09 -52.37 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.0 -25.23 67.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -54.11 9.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 18.6 pt -63.65 -36.52 76.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.8 -53.79 24.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 179.866 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -56.64 -46.15 81.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.942 179.82 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 35.8 m -61.75 -46.74 88.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.5 tp -55.17 -54.6 41.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -55.77 -55.59 30.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -52.83 -46.54 67.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -61.8 -40.75 96.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 24.6 mt -62.45 -38.32 89.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 12.5 mtpp -68.96 -57.38 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.863 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 27.4 m -54.73 -36.11 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.846 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 93.0 m -69.41 -56.94 6.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 -179.92 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -52.37 -37.11 55.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -76.5 -53.94 7.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.877 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 9.6 t -52.78 -52.06 58.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.6 t -62.25 -24.82 67.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 -179.928 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 25.8 mtp85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.81 -179.903 . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.2 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.821 0.344 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 63.49 42.72 6.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.912 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.0 p -101.23 164.75 11.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.195 -179.968 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.2 p -51.79 -46.42 64.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -51.49 56.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 -179.777 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -40.62 92.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.94 -54.11 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 179.949 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.2 -52.24 50.74 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.494 179.922 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.77 -40.39 94.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.509 -179.894 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -37.36 84.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.793 0.33 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.0 mm -63.99 -52.28 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.167 179.878 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.8 t -62.21 -39.65 93.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -66.4 -55.6 15.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.7 p -60.77 -32.42 51.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.997 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.2 mt -66.81 -48.42 69.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -62.88 -42.3 99.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 179.852 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -60.96 -50.55 72.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.7 mt -57.32 -48.64 82.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.097 -179.975 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.8 t -55.07 -58.64 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.055 179.913 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -53.28 -40.07 64.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.7 ttp -67.19 -32.19 73.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.1 ttp85 -71.01 -51.21 26.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.876 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -71.01 -28.71 64.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.99 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -54.94 -40.94 70.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.7 mp -53.85 -28.44 35.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 91.8 m -98.94 34.94 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.15 27.66 16.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.99 37.1 73.64 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -95.84 104.54 16.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.83 0.348 . . . . 0.0 110.955 -179.933 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 p -56.4 -26.77 54.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.853 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -65.31 -33.75 76.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 -179.969 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.89 -28.94 66.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.3 mmm -72.92 -31.48 64.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -110.48 26.39 10.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -102.31 -50.94 3.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -104.52 30.21 5.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 179.903 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.02 28.03 3.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.38 -32.41 4.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.82 -26.03 10.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.01 -30.34 64.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.783 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -55.91 -25.84 44.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -111.1 26.97 10.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -136.5 25.36 3.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.95 179.931 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.0 mt -120.95 -71.45 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.0 179.888 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 58.23 23.43 10.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.797 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.71 160.39 66.92 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.67 0.748 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.262 . . . . 0.0 112.363 179.83 . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.5 mptt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.778 0.323 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.2 mt 71.05 -68.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 63.5 p -50.34 -39.25 45.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.962 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.7 m -53.88 -52.47 60.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.83 -44.73 95.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -180.0 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 55.4 mt -51.83 -54.18 31.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -49.41 77.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -52.99 -51.54 61.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -60.21 -43.15 96.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.823 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -53.78 -50.38 66.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.796 179.959 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.6 p -66.14 -38.83 89.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.749 -179.683 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -57.41 -64.01 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.831 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.2 pp -55.77 -45.44 78.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.53 -33.58 66.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -72.89 -52.32 15.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.4 ptm -62.92 -29.43 70.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.446 ' HG3' ' HB3' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -50.42 -52.75 34.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 179.885 . . . . . . . . 3 3 . 1 . 052 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.47 -19.31 46.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -124.86 78.99 1.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.2 mt -149.82 163.21 38.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -77.34 -177.06 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 179.905 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -51.2 69.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.779 179.974 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -69.59 -48.75 59.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm -55.92 -42.99 76.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.9 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -58.62 -48.08 82.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.845 179.881 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -50.27 73.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.924 179.824 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -63.5 -43.86 96.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.446 ' HB3' ' HG3' ' A' ' 107' ' ' LYS . . . -54.88 -44.49 74.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 179.856 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -52.99 -49.46 66.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.56 -40.78 89.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.989 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.75 -50.08 72.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -57.87 -51.15 70.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -53.54 -53.61 49.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -57.32 -44.41 84.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 24.6 m -61.41 -45.92 92.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.885 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -60.79 -35.89 77.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.952 179.963 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 61.4 m -67.81 -56.73 8.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.178 -179.941 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.21 -34.17 70.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 179.989 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 50.2 mt -71.57 -41.32 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.17 179.928 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -62.17 -44.27 96.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.801 179.838 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 5.8 mt -67.27 -53.47 32.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.177 179.986 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -59.2 -50.1 75.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -60.84 -38.1 84.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -59.7 -55.16 37.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -62.1 -52.19 64.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 86.3 t -55.35 -44.12 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -63.27 -40.96 98.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 179.867 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -67.41 -28.68 68.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.797 179.891 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.947 0.403 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -52.83 -45.01 67.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.44 -48.67 76.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.098 179.843 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.82 -47.86 81.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.2 mp -56.87 -63.36 1.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.858 0.361 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -51.73 -40.58 60.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 -179.976 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -26.53 24.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 -179.977 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -69.46 -69.58 0.33 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 179.882 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 89.3 m -49.03 -44.37 41.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 -179.987 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.53 -45.59 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -63.45 -31.23 72.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -70.81 -55.49 8.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.903 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 13.4 pt -58.68 -39.1 75.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.87 -48.9 67.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -47.39 78.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 179.846 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.73 -43.36 99.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 23.6 tp -56.07 -50.02 72.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.09 -56.84 16.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -47.51 67.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -55.98 -49.48 73.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 3.0 mp -54.78 -52.46 62.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -52.74 -54.12 38.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.812 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 66.4 t -60.42 -39.02 79.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 92.7 m -58.14 -43.47 87.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.3 tp -69.29 -54.52 14.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -20.72 59.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.2 m -82.21 -47.95 11.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.8 t -66.4 -26.69 67.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.15 -179.921 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.77 116.88 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 81.2 t -57.03 143.44 11.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.041 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.69 145.13 49.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -65.51 171.46 4.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.89 -36.8 1.63 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.468 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 t0 56.65 -179.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.82 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -52.85 153.96 3.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.0 t -133.91 6.92 3.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.079 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -132.86 144.92 50.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -175.76 33.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 p 53.06 -174.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.6 159.64 30.8 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.529 0.681 . . . . 0.0 111.168 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -171.34 0.47 Allowed 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -121.5 -36.1 3.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.42 157.15 18.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.6 79.54 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.43 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -77.57 -16.86 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.058 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 63.64 25.11 14.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -105.64 167.13 9.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.71 -34.88 40.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.3 p -68.74 -45.38 71.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -60.72 -51.37 69.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.1 m -61.17 -43.24 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.89 -52.22 53.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.67 -37.67 95.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.391 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.34 -34.76 78.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 110.971 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.5 mm -69.6 -49.22 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 t -63.37 -39.54 94.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -65.79 -55.65 16.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.2 p -60.22 -32.74 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.28 -48.96 68.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -62.06 -43.58 98.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.92 -47.85 84.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.6 mt -57.98 -46.49 87.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.6 t -57.94 -54.57 30.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -59.52 -44.7 93.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.5 ttt -63.76 -31.63 72.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -51.23 34.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.809 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.2 pttt -70.66 -28.21 64.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.77 -37.64 66.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mp -53.98 -32.16 53.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.0 m -95.93 32.23 1.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 t30 60.66 26.19 15.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.71 42.89 97.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -95.12 113.89 25.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.6 p -55.61 -27.09 47.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.39 -40.95 89.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.84 -38.8 92.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 65.3 mtp -58.98 -33.38 70.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -117.72 28.81 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -83.05 -62.17 1.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.56 28.84 5.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -96.36 31.91 2.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.78 -30.55 5.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.0 -38.8 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.05 -36.33 60.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.081 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -56.19 -26.25 50.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -124.45 38.91 4.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -155.71 32.28 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.7 141.69 28.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -79.94 -25.95 40.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mt -80.17 154.89 74.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.526 0.679 . . . . 0.0 110.949 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 156.32 63.84 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.343 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -147.49 139.36 24.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 69.4 mt -67.65 136.78 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -176.1 47.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.23 -64.81 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -168.72 176.52 5.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -108.83 31.05 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 174.14 159.22 20.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 55.8 m -82.09 -69.11 0.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 0.0 110.894 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -176.54 134.36 0.23 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.974 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -71.77 -36.76 70.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.83 165.55 22.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.75 -22.1 38.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.5 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 53.7 40.49 31.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.947 0.403 . . . . 0.0 110.939 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -91.06 140.05 30.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 55.3 64.73 1.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.52 178.63 0.54 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 65.6 mt 60.01 75.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.188 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 27.6 p -109.95 163.32 13.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 62.72 100.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -166.69 -171.77 1.95 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.995 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 54.51 49.84 17.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.3 mt -111.65 -31.07 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 41.6 m -59.97 -41.34 91.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.7 t -60.45 -51.96 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.41 -52.65 50.42 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.26 -34.24 77.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.2 tp -65.03 -49.32 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.973 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -62.01 -52.16 65.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -56.02 -44.6 78.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -61.62 -41.93 98.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.7 -29.04 67.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -72.37 -54.42 9.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.2 pp -61.91 -43.41 98.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -67.44 -32.9 74.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -66.87 -51.27 57.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.2 ptt? -73.25 -26.03 60.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.818 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -55.91 -41.29 74.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -59.7 -37.65 79.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -109.7 74.24 0.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.7 mt -142.02 177.97 7.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.961 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -78.17 -175.94 4.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.24 -51.28 66.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -69.37 -48.49 61.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -55.87 -39.41 71.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.795 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -69.08 -45.2 70.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.45 -49.91 71.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -38.6 71.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.74 -44.74 73.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.183 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.49 -49.85 71.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.61 -41.13 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.8 mp -58.62 -50.07 75.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.06 -47.76 84.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -53.85 -53.28 54.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.35 -49.39 74.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.8 m -54.06 -50.42 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.14 -33.65 73.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 15.2 m -64.73 -56.4 13.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -32.2 72.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 63.4 mt -71.39 -36.96 63.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -44.54 68.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.871 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 6.5 mt -66.65 -47.49 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -62.82 -50.03 72.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -59.94 -40.86 90.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -63.0 -47.53 82.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.25 -52.28 66.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.9 p -65.67 -29.13 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.07 -41.39 77.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.987 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -74.25 -40.0 62.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 37.4 tp -71.74 -58.06 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -126.62 -169.86 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.25 177.45 5.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.9 tp -175.94 146.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.05 150.14 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.27 138.66 11.96 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.58 0.705 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.444 ' HG2' ' H ' ' A' ' 146' ' ' THR . 53.3 Cg_endo -69.83 -86.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.628 2.219 . . . . 0.0 112.309 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.444 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 0.1 OUTLIER 178.3 147.53 0.36 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.552 0.691 . . . . 0.0 111.133 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.76 130.79 19.96 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.725 2.283 . . . . 0.0 112.388 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 12.4 tt -116.47 -22.48 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.127 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.95 -37.39 52.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -51.18 -47.21 62.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.68 -54.73 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.166 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.0 mp -51.71 -51.44 56.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.59 -64.95 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 61.5 p -52.12 -32.86 37.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.37 -31.28 43.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.13 -177.97 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 6.0 tp -170.49 78.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 62.92 86.7 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.794 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.06 154.47 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.24 -71.37 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -137.93 51.04 1.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.67 179.04 5.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -105.95 33.02 3.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 7.5 mp -99.48 -25.65 14.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.998 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -29.12 70.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -26.61 5.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -69.48 -68.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.7 m -48.59 -45.19 37.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.6 mm -62.67 -46.49 96.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -62.44 -32.15 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -55.06 10.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.5 pt -60.45 -36.0 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.37 -52.06 44.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -56.6 -47.07 80.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 14.6 p -61.73 -46.58 89.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 5.6 tp -54.75 -57.95 9.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -54.7 -52.81 61.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -53.39 -50.17 65.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.48 -32.85 71.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.24 -61.38 2.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.23 -46.18 69.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 91.2 t -59.18 -52.77 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 82.6 m -53.43 -44.01 68.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.192 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.2 -52.16 65.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -58.69 -37.01 75.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 3.1 t -64.7 -51.44 62.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 11.7 t -68.66 -24.92 64.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.116 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -83.49 -25.86 30.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.27 16.64 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.018 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.16 -179.885 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.812 0.339 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -118.46 67.54 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.3 p -113.32 145.97 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.53 89.58 2.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.818 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -131.46 179.4 6.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.36 -19.83 4.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.504 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -56.84 131.89 50.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.367 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -125.44 175.44 7.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.8 t -122.43 -36.02 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 57.49 -178.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.1 t0 63.34 27.62 15.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.799 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.3 p -144.43 128.35 17.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.244 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.25 159.62 30.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 0.0 111.104 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.79 177.8 5.23 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.746 2.297 . . . . 0.0 112.341 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -131.41 54.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 61.82 160.89 0.11 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.654 0.74 . . . . 0.0 110.785 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 102.9 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.2 t -93.93 -22.2 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 62.28 23.79 14.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.98 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.1 t -107.2 171.57 7.31 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.179 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.8 p -51.57 -43.8 62.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.156 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.9 -51.53 69.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.842 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -61.48 -39.8 92.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.3 t -63.22 -54.14 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.1 -52.09 51.5 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.79 -37.25 93.99 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.38 -46.9 75.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.736 0.303 . . . . 0.0 110.912 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.27 -41.04 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.0 p -64.51 -47.56 78.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.232 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -61.19 -55.15 35.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.3 p -59.25 -33.89 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.4 mt -63.89 -48.7 75.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -63.31 -42.18 98.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -45.18 95.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.1 mt -61.78 -46.99 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.26 -44.83 88.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.68 -42.1 82.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -32.1 73.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -73.91 -50.34 20.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.82 -28.93 66.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -53.96 -33.81 57.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.41 -28.64 69.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.66 28.96 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.42 31.83 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.783 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 59.96 40.21 96.63 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.526 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -87.69 111.81 21.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 77.2 p -61.11 -27.22 68.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.983 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.53 -27.53 58.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 10.3 t -64.46 -34.66 78.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.5 mtp -56.95 -48.05 79.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -102.17 28.23 6.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -79.54 -56.32 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -114.22 26.97 9.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.941 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -96.35 30.35 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.76 -27.58 8.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.45 -36.38 2.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.63 -40.46 79.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -53.12 -29.68 32.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -112.17 33.39 4.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -154.96 29.98 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.82 134.01 34.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -25.77 65.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.91 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 mt -79.93 154.89 75.47 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.608 0.718 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 158.25 57.73 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.445 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -147.68 141.41 25.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 45.1 mt -64.15 125.8 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.193 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.3 -26.73 14.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 57.36 85.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -85.25 -26.25 26.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.8 t0 56.23 67.74 0.96 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.856 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -178.66 53.55 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.5 m -85.84 -42.11 14.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.0 110.838 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -122.4 175.3 6.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.32 173.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 55.46 27.02 9.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 168.61 135.02 1.81 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.471 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -82.47 -39.32 22.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 0.0 110.905 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.78 -50.37 69.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -55.85 125.47 21.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -142.04 -52.45 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 40.4 pt -104.42 168.69 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.093 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 14.2 p -168.08 138.66 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.3 142.06 28.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.22 -27.38 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.0 mttt 55.46 63.93 1.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.3 mt -104.97 -27.13 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.162 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.9 p -65.62 -45.16 84.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 m -53.97 -52.37 60.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.73 -51.2 57.59 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.08 -49.76 70.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.799 0.333 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.56 -49.17 77.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.2 -49.05 70.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -57.89 -48.53 79.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -54.22 -48.16 71.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t -63.12 -37.5 87.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.829 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -61.17 -63.13 1.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.1 pp -55.8 -39.36 71.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.58 -37.27 86.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -69.18 -45.69 69.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.996 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.5 ttp -66.17 -34.65 78.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.902 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -62.63 -25.91 68.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.98 -38.59 83.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.951 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -131.62 99.36 4.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.1 mt -149.11 175.79 11.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.06 -176.37 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -61.97 -51.11 69.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -71.08 -48.28 53.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -55.91 -35.74 66.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -68.42 -52.98 26.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -46.26 68.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -71.25 -40.0 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.88 -43.39 73.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.053 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -55.67 -49.69 72.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.54 -43.23 96.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -47.46 84.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -60.91 -49.58 76.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -53.72 -53.26 54.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -55.53 -49.36 72.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 22.2 m -54.68 -45.94 74.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -66.63 -30.24 70.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.4 m -70.46 -56.66 6.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.138 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.2 pp -60.78 -37.78 83.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 76.3 mt -70.57 -39.26 75.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.1 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -42.85 96.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.0 mt -68.28 -49.78 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.181 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -62.58 -48.98 77.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -62.1 -39.71 93.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -60.98 -54.14 48.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.84 -51.96 67.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.1 t -58.89 -35.33 55.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -69.12 -39.55 78.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.0 -33.11 70.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.818 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 18.1 tp -79.83 -58.0 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.77 -169.92 2.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.854 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -95.72 -172.97 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -175.58 146.46 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 4.8 m -128.09 102.25 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -175.89 87.18 0.29 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.617 0.722 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -43.18 2.81 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.233 . . . . 0.0 112.36 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.04 159.09 1.83 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-O 121.637 0.732 . . . . 0.0 111.08 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 179.28 3.78 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.729 2.286 . . . . 0.0 112.356 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.4 tt -117.89 -16.0 8.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 16.2 p -55.62 -25.69 40.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -51.26 -51.02 57.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.45 -36.59 80.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 51.7 mt -61.27 -64.73 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 4.3 mt -53.49 -50.68 64.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 67.7 p -57.95 -34.21 69.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.06 -47.14 69.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 14.0 pttm 44.58 -163.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.845 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.7 179.25 7.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -91.98 110.55 21.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.9 170.86 20.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.791 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.79 141.63 1.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 7.2 tttt 52.85 29.89 8.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.5 99.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -154.1 152.45 30.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.958 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.6 mp -125.84 53.15 1.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -29.26 68.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.71 -26.64 2.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -69.48 -68.26 0.42 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.5 m -48.49 -36.47 15.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.185 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 34.0 mm -67.62 -52.59 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -25.6 68.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -55.14 7.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 16.8 pt -63.13 -36.71 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.216 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.65 -52.53 37.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -56.99 -46.22 82.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.34 -47.35 86.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.8 tp -54.56 -53.3 56.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.68 -54.8 41.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -52.76 -43.06 65.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -61.82 -51.07 69.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.67 -35.75 68.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -67.6 -60.86 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 10.3 p -56.68 -33.24 39.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 93.8 m -67.65 -57.44 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.07 -37.35 69.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -67.05 -48.96 66.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -52.04 67.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.774 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.0 t -61.11 -24.88 66.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -82.92 88.04 6.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.99 16.66 16.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.906 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.837 0.351 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -138.63 86.93 2.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.7 t -86.61 146.18 6.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -125.54 144.77 50.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.753 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -115.8 174.53 5.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.94 -46.46 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.6 t0 56.35 -179.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -108.98 -176.15 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.807 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.8 t -115.54 -28.07 6.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.232 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -56.36 144.06 32.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -178.71 42.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.5 p -80.75 145.76 31.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.04 159.63 70.62 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.605 0.716 . . . . 0.0 111.143 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -171.18 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.656 2.238 . . . . 0.0 112.364 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -120.59 47.27 1.82 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.0 mtt-85 -124.94 73.85 65.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.483 0.658 . . . . 0.0 110.805 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 98.34 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.2 t -91.92 -10.32 9.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 63.66 50.84 2.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.965 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.1 t -108.61 159.18 16.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -51.12 -49.28 61.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.7 m -52.29 -51.44 58.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -60.46 -38.87 85.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.2 t -62.99 -54.41 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.102 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.48 -52.22 51.5 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.501 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.11 -44.16 94.88 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.44 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.45 -49.45 73.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.9 mm -53.91 -44.34 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.073 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.9 p -65.43 -43.0 91.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -59.15 -55.39 35.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.24 -36.37 68.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -48.42 81.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.983 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -64.94 -44.5 89.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.977 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -44.91 91.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.0 mt -63.11 -47.35 92.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.6 t -56.15 -45.72 80.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -42.78 91.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.7 ttt -66.64 -32.07 73.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.52 -51.27 24.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.805 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -28.64 67.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.9 -37.37 63.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.3 mt -56.04 -26.19 48.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.06 30.33 4.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 63.08 34.76 13.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.42 45.83 95.48 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.478 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -100.66 118.5 36.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.1 t -67.61 -35.88 79.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -30.49 71.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.831 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.1 t -61.57 -27.61 68.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.7 mtt -62.01 -48.45 80.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -102.6 30.77 4.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -90.43 -63.91 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.59 23.63 13.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -102.5 27.36 6.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.06 -30.74 14.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.26 -30.89 5.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.61 -41.24 66.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.045 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -53.71 -31.28 47.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -107.46 27.24 9.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -134.27 26.12 3.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.06 126.52 46.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.96 -29.91 28.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.77 156.37 72.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.933 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 118.67 5.82 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -148.02 127.96 13.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.801 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.4 mt -51.96 143.73 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.34 -42.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -80.19 177.71 8.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -116.39 167.7 10.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -75.35 140.32 42.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.8 -86.7 0.24 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 82.5 m 56.8 66.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -107.09 32.39 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.971 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -129.04 74.97 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.44 118.29 12.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.105 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 179.83 -80.27 0.06 OUTLIER Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.426 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -69.25 166.32 18.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.947 0.403 . . . . 0.0 110.92 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -57.61 110.96 0.98 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -99.76 -58.98 1.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 57.47 65.98 1.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 24.7 mm 65.28 151.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 95.1 m -114.95 -60.2 1.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.11 116.01 23.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.938 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.89 -178.21 5.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.89 148.57 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 67.8 mt -92.51 -25.08 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.07 -41.81 70.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -52.4 60.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.77 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.69 -48.34 73.68 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.99 -50.18 69.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.865 0.364 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.67 -49.23 78.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -55.27 -49.94 70.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -57.46 -49.9 74.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -54.22 -44.44 71.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.801 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.3 t -63.82 -41.43 97.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -61.82 -64.01 1.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.982 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 pp -51.77 -41.64 61.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.65 -39.68 94.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -64.59 -52.03 59.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 19.6 ptm -65.71 -35.95 82.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.826 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -53.18 -31.4 42.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -63.67 -38.38 90.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -123.07 95.11 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.1 mt -148.23 168.42 22.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -176.02 0.6 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -62.28 -51.16 68.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.788 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -72.28 -48.01 45.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -55.7 -33.35 64.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -53.3 24.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -54.71 -43.85 72.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -73.7 -32.8 64.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.62 -46.46 90.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -55.61 -49.58 72.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.99 -44.11 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.157 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.4 mp -58.67 -49.04 79.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.5 -50.06 75.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.962 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -53.99 -53.06 58.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.94 -45.15 74.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.2 m -56.84 -51.1 70.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -63.95 -28.83 70.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 33.4 m -71.27 -56.45 6.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.22 -35.97 78.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 88.1 mt -70.86 -42.58 77.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -63.63 -40.64 97.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 13.7 mt -68.31 -52.08 41.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.187 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -62.03 -45.29 94.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.06 -39.59 94.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -62.31 -51.8 66.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.49 -52.08 67.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.814 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.0 t -60.91 -35.93 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -42.02 91.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -70.46 -35.26 73.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.83 -30.12 56.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -163.9 162.25 23.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.08 174.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -175.67 144.24 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 31.6 m -126.28 164.28 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.173 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.14 141.55 27.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.559 0.695 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -47.79 0.84 Allowed 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.646 2.23 . . . . 0.0 112.334 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.7 m 65.27 72.8 0.45 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.474 0.654 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 160.22 50.48 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.635 2.223 . . . . 0.0 112.387 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.9 tt -118.04 -14.86 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.075 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.6 m -51.22 -30.65 18.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -50.71 -40.91 55.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -64.38 -35.31 80.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.5 mp -68.61 -51.7 39.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.76 -51.04 71.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 66.5 p -62.55 -39.49 93.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -52.09 -38.33 56.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.2 126.64 38.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -165.65 90.92 0.48 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -124.65 87.38 2.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 59.76 174.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -114.12 175.56 5.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt 56.13 52.25 10.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.16 171.94 7.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -107.81 52.53 0.71 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 23.5 mt -148.74 -46.2 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 4.5 ttt-85 -68.4 -29.45 68.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.4 -26.78 5.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -69.23 -68.76 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.6 m -48.45 -44.93 35.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 37.9 mm -62.78 -45.3 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -62.28 -32.6 73.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.07 -55.12 10.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 23.0 pt -59.41 -35.93 61.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.79 -54.5 18.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -59.8 -49.05 79.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 51.9 p -59.74 -43.87 94.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.5 tp -58.21 -58.02 10.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -50.98 63.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.794 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -57.59 -49.97 74.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -59.19 -32.9 70.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.93 -61.93 1.64 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -51.57 -42.22 61.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.026 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 86.2 t -63.85 -47.88 88.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 99.6 m -60.08 -35.91 76.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.09 -54.62 16.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -65.15 -25.7 67.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.803 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.1 t -73.85 -49.88 22.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.6 t -70.12 -24.86 63.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.191 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -80.82 69.09 7.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -66.41 -18.01 65.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 40.8 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 -179.923 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 75.0 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.831 0.348 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -107.42 63.1 0.62 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.961 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 p -80.72 140.8 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.188 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.07 123.82 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -101.43 156.18 17.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.56 37.41 3.83 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.01 62.15 2.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.798 0.332 . . . . 0.0 110.777 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.1 t80 61.51 171.28 0.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.7 t -68.13 -27.05 66.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.198 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.07 172.0 13.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -152.8 30.72 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.2 t -176.94 163.56 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.79 159.62 57.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.673 0.749 . . . . 0.0 111.094 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -170.94 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.616 2.211 . . . . 0.0 112.359 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -126.63 29.25 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -116.65 73.93 6.16 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.644 0.735 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.81 124.44 11.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.291 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 m -102.17 -13.96 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 63.55 48.7 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.5 p -110.2 165.65 11.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.108 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -51.71 -46.1 63.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.4 m -54.7 -51.47 65.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -41.26 97.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.56 -54.11 39.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.7 -51.75 54.84 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.99 -40.26 95.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 tt -63.49 -43.34 97.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.752 0.31 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.64 -40.84 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.7 p -64.18 -46.12 85.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -62.01 -55.33 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.7 p -59.32 -33.24 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.33 -48.11 74.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.1 t90 -63.49 -40.64 97.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -63.45 -45.88 88.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.0 mt -61.82 -43.82 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.8 t -61.07 -50.1 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -64.88 -41.22 95.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -33.92 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.797 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -69.76 -51.32 35.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -28.87 66.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.59 -34.36 61.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.84 -25.56 67.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 65.9 m -95.97 29.8 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.987 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 63.29 31.81 15.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.86 42.14 98.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -100.79 103.71 14.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.6 p -55.16 -26.61 39.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.15 -28.12 67.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.7 t -64.26 -26.16 68.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -49.66 76.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -110.31 25.96 11.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -74.85 -60.29 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -98.16 30.91 2.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -95.85 25.97 4.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.804 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.99 -31.36 11.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.61 -37.47 2.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.09 -31.86 44.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -53.93 -28.15 35.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -121.34 25.89 9.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -137.16 25.9 2.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.58 -48.31 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.52 21.78 8.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.5 mt -84.11 159.27 60.04 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.546 0.688 . . . . 0.0 110.982 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 78.49 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.324 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -115.22 161.03 19.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 21.8 pt -104.74 163.87 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.174 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -175.71 147.99 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -99.94 -48.69 4.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 60.91 177.95 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -108.44 50.15 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.819 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.61 -96.92 0.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.43 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 52.3 m 52.08 64.45 1.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.922 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -98.62 149.18 23.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.88 132.48 53.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.8 m -77.66 -36.42 51.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.65 -46.96 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.531 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -135.73 175.44 9.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.934 0.397 . . . . 0.0 110.946 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 m120 57.85 -176.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -166.15 168.79 15.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 56.37 69.23 0.76 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 12.1 tt -158.35 144.18 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -173.53 109.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.3 mt 71.26 -68.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 59.09 -177.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.37 105.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 62.1 mt -106.07 -37.0 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -58.63 -37.96 77.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.2 t -53.84 -52.3 60.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.88 -50.99 55.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.425 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.07 -47.77 71.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.884 0.373 . . . . 0.0 110.947 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.72 -49.11 77.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -50.56 71.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -56.86 -47.51 80.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -55.48 -48.69 74.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.822 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.0 p -62.84 -36.12 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -63.25 -64.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.2 pp -54.12 -39.5 66.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.31 -37.17 86.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -67.27 -47.23 71.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 15.5 ptm -72.85 -25.85 61.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.87 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -45.34 69.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -59.83 -31.83 70.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -110.63 73.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.9 mt -145.16 178.04 8.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.7 -176.01 5.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -61.59 -51.1 69.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -67.75 -50.88 54.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -55.55 -35.84 66.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.68 -53.21 23.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.933 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -51.93 -46.15 64.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.812 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -73.1 -36.54 66.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.94 -45.7 74.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.052 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.36 -45.9 76.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.84 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 94.6 t -66.69 -33.97 66.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.48 -51.02 61.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.983 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -63.4 -39.79 95.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -62.31 -50.57 71.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -59.0 -49.39 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.6 m -55.44 -51.04 68.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -58.38 -38.46 77.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 86.2 m -62.13 -56.0 23.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.193 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.61 -30.32 70.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 40.0 mt -70.41 -39.94 77.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -39.65 71.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 43.5 mt -67.17 -49.66 70.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.76 -49.08 72.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -59.55 -41.74 90.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -62.74 -52.0 64.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -60.06 -51.86 67.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 98.9 t -58.94 -54.24 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -43.68 63.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -70.03 -30.48 67.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.876 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.32 -47.82 46.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -138.32 -75.36 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.63 -173.91 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -175.68 146.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 5.9 m -131.08 107.36 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -175.85 86.53 0.29 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.541 0.686 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -48.65 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.737 2.292 . . . . 0.0 112.297 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 178.95 147.54 0.39 Allowed Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.645 0.736 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.88 166.62 27.12 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 11.2 tt -117.19 -24.93 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.072 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.14 -33.37 39.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -50.86 -50.5 56.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.956 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.4 -48.7 71.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 16.8 mt -55.06 -53.3 57.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -53.58 -63.37 1.17 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 70.6 p -51.24 -32.88 25.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.17 -38.53 79.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -95.23 67.28 2.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.98 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.74 -46.8 51.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.16 176.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 47.5 m -143.21 29.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -134.35 163.07 30.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.69 119.09 12.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.43 35.29 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 53.65 49.36 19.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 20.2 mt -115.81 -40.0 3.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.968 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -58.24 -29.67 65.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.87 -26.39 5.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -69.62 -69.03 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.6 m -48.45 -44.62 35.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.2 mm -63.26 -47.47 92.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -63.04 -30.45 71.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.46 -55.09 9.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.4 pt -61.2 -36.48 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.21 -53.84 26.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -56.24 -45.85 79.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.4 t -60.94 -48.85 79.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 18.0 tp -54.29 -58.06 8.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -52.69 -52.11 57.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -37.51 72.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -69.66 -31.31 69.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 55.7 mt -72.37 -46.21 56.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.9 ptpm? -65.19 -44.03 89.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 8.3 p -68.85 -34.63 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 8.2 m -69.4 -47.45 64.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -71.72 -30.4 65.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -75.0 -37.38 61.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.747 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.6 t -74.18 -50.76 17.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.062 0.458 . . . . 0.0 110.951 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 11.9 t -51.26 -30.44 17.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 7.3 mtm-85 -51.94 -67.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -179.59 -34.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.963 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 79.6 p . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.186 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.787 0.327 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -147.86 95.24 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -116.98 149.87 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.064 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.0 78.11 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.849 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.39 170.22 8.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 133.1 53.28 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.448 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -135.63 135.92 40.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.808 0.337 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -131.53 149.85 52.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.792 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 t -117.46 -26.71 6.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -52.15 142.46 16.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -166.11 28.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.3 p -150.29 178.66 8.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -56.59 159.6 6.56 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.617 0.722 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 177.17 5.85 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -125.73 28.11 6.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 63.67 153.84 0.12 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.705 0.764 . . . . 0.0 110.813 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 113.92 3.53 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.731 2.288 . . . . 0.0 112.294 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.6 p -107.99 -20.69 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 64.14 47.18 3.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.2 p -113.45 162.48 16.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.127 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.7 p -51.8 -41.9 62.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 m -60.42 -51.59 68.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -35.47 77.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.8 t -63.33 -54.6 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.72 -51.94 55.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.76 -41.76 94.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.03 -49.76 71.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.712 0.292 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.0 mm -54.62 -43.38 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.256 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.8 p -65.11 -44.09 89.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.193 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -58.63 -55.57 33.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.63 -36.5 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.168 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.77 -48.54 81.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.002 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -64.53 -42.49 95.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.931 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -45.81 92.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 32.6 mt -61.37 -48.15 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.164 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.8 t -56.91 -51.25 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.39 -46.13 83.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.8 ttt -65.82 -31.89 73.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.2 ttp85 -72.96 -51.25 19.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -28.85 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -56.45 -31.92 64.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.58 -27.5 68.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 56.2 m -99.03 30.97 3.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 t30 63.17 26.55 15.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.64 37.58 93.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.369 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -94.48 110.53 22.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.8 p -55.39 -27.0 44.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.3 -39.31 92.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.794 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -33.92 72.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.0 mtp -58.78 -32.17 69.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -122.88 26.79 8.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -89.55 -62.0 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.21 26.41 8.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.801 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -103.19 26.27 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.62 -29.79 10.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.088 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.61 -33.9 4.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.08 80.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -53.1 -33.17 51.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -113.51 26.23 10.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -141.59 25.89 1.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.66 136.57 32.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.74 -25.59 18.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.96 160.64 45.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 110.958 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 145.83 58.51 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.712 2.275 . . . . 0.0 112.323 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.03 145.29 28.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 72.6 mt -74.27 124.18 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -74.99 -74.41 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -166.59 116.69 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -127.8 156.01 43.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.28 -38.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 154.76 107.03 0.28 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.431 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 57.5 m -85.33 -30.23 23.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 61.36 -178.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -92.59 130.89 38.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.9 t -165.71 150.68 8.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.21 -101.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.454 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -103.74 83.12 2.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.21 -66.53 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.33 142.73 16.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -103.02 -70.6 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.0 tt -138.41 140.18 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 69.0 m -113.06 -55.84 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.81 100.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.41 36.26 4.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -82.24 90.82 6.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.1 mt -109.65 -35.34 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.3 p -59.32 -48.65 80.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.833 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 m -53.85 -52.29 60.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.38 -46.94 91.57 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.535 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.6 mt -57.83 -56.13 25.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 110.836 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -48.37 73.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -52.8 -50.84 62.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -58.35 -46.07 86.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.994 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -55.36 -45.07 76.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.841 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -39.08 89.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -60.38 -60.98 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 pp -57.86 -42.29 84.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -34.44 76.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.806 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -71.64 -47.22 55.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 27.9 ttp -70.39 -26.03 63.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -30.34 71.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.934 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -60.09 -39.7 87.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -121.98 94.05 4.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.3 mt -149.06 178.02 9.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -80.01 -176.05 5.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -51.06 68.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -70.78 -47.9 57.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.767 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -55.74 -38.81 70.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -67.72 -51.48 48.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.27 -48.74 65.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -38.15 73.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.88 -45.07 74.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.051 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.61 -49.87 71.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.5 -43.67 94.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.081 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.08 -49.02 79.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -58.3 -50.36 73.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -53.72 -53.15 56.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.07 -44.94 75.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.0 m -58.31 -51.0 71.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.93 -32.5 72.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.2 m -69.08 -56.47 7.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.048 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.3 -32.92 71.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 75.2 mt -72.3 -41.33 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -64.63 -43.82 92.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 23.0 mt -67.7 -48.62 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.57 -50.16 70.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -60.4 -40.07 89.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -63.43 -46.48 86.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -60.38 -52.26 66.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.7 m -65.06 -31.83 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -66.47 -43.31 85.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.88 -26.01 43.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.9 tp -76.24 -46.61 27.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -138.08 -75.75 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.8 -169.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -171.55 146.12 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 5.8 m -140.15 107.65 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.087 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.03 87.33 0.28 Allowed Pre-proline 0 C--N 1.327 -0.39 0 CA-C-O 121.647 0.737 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -43.47 2.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.755 2.303 . . . . 0.0 112.344 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -175.32 159.14 2.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 111.134 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -172.99 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.64 2.227 . . . . 0.0 112.385 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.3 tt -132.29 -39.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 29.2 t -64.44 -25.66 68.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -50.6 -51.14 51.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.795 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.85 -47.51 74.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 22.3 mt -55.17 -55.05 35.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.38 -62.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 66.3 p -52.47 -32.68 40.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.198 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -72.75 -33.85 66.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.25 -75.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.3 mt -177.04 -67.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -155.9 47.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.9 m 61.43 79.75 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.21 179.51 8.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -124.35 175.18 7.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -166.52 165.98 16.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.23 28.98 8.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.12 27.54 5.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -77.0 -29.31 55.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.23 -26.72 12.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -70.03 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.8 m -48.92 -45.45 41.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.38 -46.76 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -61.78 -32.2 72.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -69.71 -55.27 10.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 18.8 pt -60.32 -36.36 68.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.22 -52.16 44.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.82 -47.23 86.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.943 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 4.4 t -62.39 -39.42 93.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.1 tp -63.08 -45.64 91.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -57.12 11.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -57.19 -36.73 71.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -64.1 -48.86 74.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 5.6 mp -61.02 -41.7 97.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -61.63 -52.04 66.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.972 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 66.2 t -63.13 -33.16 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 97.7 m -68.43 -47.77 66.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.85 -31.55 70.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.43 -38.29 49.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.962 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 41.5 t -76.6 -48.08 20.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.0 t -52.93 -28.11 21.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -51.71 -37.46 50.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.941 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.12 16.77 9.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 22.0 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.927 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.826 0.346 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -176.54 131.81 0.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.2 t -92.33 142.6 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -110.37 140.77 44.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -118.36 171.95 7.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.66 53.08 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.94 71.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.3 167.81 21.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.4 t -120.47 -32.87 3.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -91.38 168.16 11.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.817 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -162.64 52.71 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.4 p -79.4 169.61 17.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.55 159.57 71.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.54 0.686 . . . . 0.0 111.125 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -173.0 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.644 2.23 . . . . 0.0 112.337 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -90.55 -44.07 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.97 157.19 64.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.561 0.695 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 129.32 17.38 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.768 2.312 . . . . 0.0 112.296 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.6 t -107.1 -21.46 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 63.56 26.44 14.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.95 168.39 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -32.87 37.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.9 p -68.27 -43.77 77.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.69 -50.85 70.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.7 m -62.16 -40.89 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.96 -53.02 49.32 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.41 -38.98 97.21 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 tt -64.87 -44.19 90.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.772 0.32 . . . . 0.0 110.876 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.6 mt -62.03 -43.91 98.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.3 p -62.97 -45.94 90.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -59.04 -55.41 35.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.3 p -60.36 -33.01 52.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.37 -48.66 78.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -65.73 -42.67 90.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.41 -47.25 86.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.804 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.2 mt -60.27 -47.97 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.7 t -56.12 -53.47 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -58.15 -45.56 87.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.1 ttt -63.96 -31.65 72.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.489 HH21 ' NE2' ' A' ' 170' ' ' GLN . 0.8 OUTLIER -68.86 -51.3 41.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.842 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -71.49 -28.5 63.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.34 -36.9 66.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.1 mp -56.9 -32.92 66.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.0 m -95.97 36.68 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.2 t30 58.09 27.31 14.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.2 39.62 98.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -94.92 113.83 25.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.72 -28.4 47.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.789 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.68 -46.55 88.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -26.78 46.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 32.6 mtp -73.82 -42.14 61.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -109.09 34.73 3.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.22 -59.29 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.41 28.54 8.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -96.29 26.35 4.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.93 -25.55 8.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.051 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.29 -37.11 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.23 -40.21 81.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -56.43 -28.91 60.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.805 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -114.94 26.83 9.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -145.8 26.17 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.69 136.54 33.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.953 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.27 -25.95 19.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.8 mp -64.12 160.68 46.34 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.687 0.756 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 142.99 49.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.28 160.79 42.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 71.4 mt -85.03 141.83 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -128.03 -72.93 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? 58.01 -176.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -130.87 -61.82 0.92 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.33 -173.93 3.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.849 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.21 27.06 14.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.552 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 33.6 m 53.27 51.18 16.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.929 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -60.6 151.51 28.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.971 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -68.67 -176.32 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.0 t -178.99 151.03 0.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -89.29 53.25 3.84 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -155.27 -74.09 0.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.866 0.365 . . . . 0.0 110.935 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -179.27 115.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -176.66 120.66 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -179.25 177.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 27.3 mm 64.05 106.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 58.6 m -126.21 87.93 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.77 164.04 26.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -176.96 -64.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.15 76.25 1.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 77.6 mt -125.35 -37.57 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -40.56 74.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.06 -52.35 61.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.3 -50.92 58.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.2 -50.49 69.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.86 0.362 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.84 -49.17 77.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -55.62 -49.56 72.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -56.52 -50.21 72.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -54.2 -47.42 72.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -36.35 83.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -64.57 -64.46 0.87 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 pp -52.56 -42.22 64.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -64.81 -37.67 88.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -70.05 -49.37 51.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 32.2 ttp -68.25 -27.96 66.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -28.08 68.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -59.72 -36.84 77.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -129.07 98.16 4.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.7 mt -148.9 177.88 9.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -78.5 -176.04 4.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.7 -51.25 67.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -70.9 -48.11 55.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.7 mmtm -55.68 -37.22 68.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -68.35 -50.77 50.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -53.12 -47.45 68.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -72.11 -38.11 69.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.82 -45.51 74.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -55.57 -43.21 75.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 63.8 t -67.73 -35.99 74.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.2 -51.12 65.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -63.32 -43.97 96.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -57.15 -53.11 61.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -57.24 -53.76 54.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.786 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.6 m -55.23 -46.15 76.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -54.96 -49.17 72.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.6 m -59.47 -51.51 69.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.143 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -52.21 65.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 67.8 mt -57.54 -37.24 57.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -62.72 -48.31 79.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 69.3 mt -63.0 -53.0 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -58.92 -50.19 74.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.793 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -58.14 -38.02 75.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -63.83 -49.82 71.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -58.53 -52.3 66.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.3 m -63.88 -32.15 55.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -65.84 -43.39 88.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -76.09 -28.77 57.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.94 -3.79 43.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 66.01 31.53 9.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.791 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.7 64.2 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.5 tp -145.35 143.18 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 21.8 m -123.0 -174.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.123 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.24 96.59 41.63 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.585 0.707 . . . . 0.0 110.85 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.89 -36.64 10.1 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.696 2.264 . . . . 0.0 112.288 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 49.6 p 47.41 75.84 0.62 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 111.185 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 146.4 60.77 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.777 2.318 . . . . 0.0 112.386 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.2 tt -118.46 -13.88 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.11 -44.1 52.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -51.8 -50.95 59.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.816 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -51.82 -48.72 63.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.7 mp -57.85 -48.22 80.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.04 -63.0 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 48.5 p -53.75 -34.42 58.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -67.04 -30.28 70.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.0 174.5 8.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.88 -52.0 0.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -157.6 47.26 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.5 t -76.43 -51.04 12.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -74.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.931 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.11 -66.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -179.19 -38.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.808 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 13.5 p-90 -135.14 35.06 3.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.24 26.21 6.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.997 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 27.7 ptt-85 -81.85 -26.3 34.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 4.3 m -52.3 -26.64 12.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -69.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.962 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.8 m -48.87 -45.6 41.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.29 -46.91 95.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . 0.489 ' NE2' HH21 ' A' ' 45' ' ' ARG . 36.7 tt0 -60.49 -33.41 72.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -69.5 -55.24 10.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 20.1 pt -60.81 -35.72 66.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.211 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 18.1 mt -67.14 -54.27 22.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.936 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -56.42 -48.31 77.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.29 -42.66 99.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.1 tp -57.55 -52.32 65.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -58.93 -56.9 16.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.11 -47.39 68.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -55.83 -51.56 67.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.9 tp -54.35 -48.84 71.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.15 -60.82 2.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.19 -46.55 67.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 92.6 m -52.94 -50.21 64.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.156 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 5.3 tp -61.28 -41.68 97.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -63.9 -30.92 71.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 42.0 t -74.32 -52.16 13.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.808 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.3 t -59.94 -32.88 71.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.169 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -58.95 -177.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.803 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 63.29 16.81 9.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.118 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.918 0.39 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -106.11 59.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 p -109.16 147.73 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.07 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -90.54 100.37 13.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.7 177.31 8.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.64 -19.83 4.43 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.505 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -56.63 137.2 54.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.57 -170.85 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.3 t -121.1 -33.13 3.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.27 -179.51 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -171.35 40.55 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.9 p -107.19 165.33 11.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.74 159.54 72.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.6 0.714 . . . . 0.0 111.085 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -171.14 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.707 2.272 . . . . 0.0 112.299 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -78.75 -34.79 45.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.54 157.12 68.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.502 0.668 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 89.97 0.51 Allowed 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.742 2.295 . . . . 0.0 112.413 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.0 -13.37 15.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 63.23 26.01 15.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.959 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.62 176.43 6.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.169 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.98 -33.11 66.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 p -67.8 -42.21 81.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -50.8 68.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.7 m -62.29 -39.7 85.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.177 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.93 -52.54 49.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.525 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.5 -36.61 93.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.547 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 tt -66.32 -50.12 64.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.811 0.339 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.5 mt -59.49 -42.25 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.2 p -63.55 -46.8 84.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -58.06 -55.43 34.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.824 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.5 p -60.05 -34.2 55.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.051 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 mp -61.25 -48.59 80.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -65.05 -43.34 92.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.6 -44.2 97.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.812 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 44.8 mt -62.15 -46.61 96.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.1 t -58.78 -47.38 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.07 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -66.87 -41.37 87.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.2 ttt -66.54 -31.85 72.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.955 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.04 -51.09 16.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -28.73 66.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -53.88 -32.74 54.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.3 mt -58.37 -31.58 67.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.02 29.73 2.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 61.82 28.58 17.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.55 39.09 68.62 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.592 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -93.06 106.73 18.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 110.927 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.77 -27.36 50.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.81 -27.13 67.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -26.14 65.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 10.4 mtt -66.4 -51.8 53.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -97.89 31.65 2.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -78.84 -48.61 14.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -144.48 35.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -96.13 26.36 4.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.804 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.52 -31.09 9.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.109 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.01 -28.12 6.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.68 -47.28 63.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -60.52 -26.27 66.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -107.11 25.9 10.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -143.15 25.06 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.37 178.48 5.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.16 -19.0 10.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.6 158.47 59.87 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.591 0.71 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 138.58 38.26 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -147.57 115.33 6.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.826 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 mp -51.82 119.11 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -134.1 -44.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.98 96.1 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -135.3 -44.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -53.38 170.8 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.781 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.42 31.24 10.71 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 19.7 p -123.72 38.32 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -159.83 135.6 8.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 173.04 178.73 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.8 m 61.89 30.35 18.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.189 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 59.8 -113.82 5.69 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 59.33 175.59 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.904 0.383 . . . . 0.0 110.939 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -132.41 53.38 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -148.8 127.88 12.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -147.45 125.34 11.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 21.5 pt -121.07 42.02 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.174 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.7 m -97.11 104.27 16.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.2 mt -69.67 171.66 8.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.982 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -161.64 119.08 2.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -119.4 88.1 2.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.8 mt -107.08 -37.54 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.089 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 t -52.52 -41.36 63.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 t -54.03 -52.31 61.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.69 -51.35 54.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.445 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.45 -49.82 66.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.837 0.351 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.71 -49.23 78.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -56.97 -49.65 75.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.93 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -56.02 -47.46 77.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -56.71 -48.44 77.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.779 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.88 -33.0 74.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -67.22 -64.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 pp -52.78 -39.23 62.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.97 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -66.23 -42.71 88.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -60.32 -47.06 87.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.947 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.1 ptm -74.7 -25.96 59.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -37.81 88.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.73 -24.18 63.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -129.55 83.76 2.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.2 mt -147.78 177.97 8.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -76.83 -175.98 3.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -63.11 -51.21 67.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -69.08 -48.78 61.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.1 mmtm -55.76 -41.09 73.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -67.42 -44.66 78.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -55.84 -49.98 71.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.803 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.8 mmtm -71.86 -38.54 70.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.81 -44.76 74.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -55.6 -49.69 72.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.83 -41.05 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.157 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.9 mp -58.91 -49.93 75.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.35 -48.19 82.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -53.92 -53.26 55.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -55.8 -49.1 74.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.9 m -55.64 -48.78 74.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -60.84 -35.25 76.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.7 m -64.84 -56.46 13.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.35 -31.33 71.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.945 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 48.7 mt -71.86 -38.3 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.071 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.45 -42.66 74.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 6.0 mt -67.48 -49.81 67.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -61.99 -50.13 73.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -60.84 -39.75 90.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -61.39 -53.32 58.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -60.55 -52.35 65.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.8 t -57.04 -55.07 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -52.9 -43.03 65.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -69.99 -28.49 65.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.841 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.42 -55.39 5.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -128.79 -75.19 0.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.48 -169.71 0.15 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.99 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.2 tp -176.34 145.36 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.079 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 5.4 m -136.66 104.93 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.67 86.47 0.3 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.559 0.695 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -42.79 3.12 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.634 2.223 . . . . 0.0 112.363 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -175.14 159.54 2.22 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.637 0.732 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -176.3 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.625 2.216 . . . . 0.0 112.332 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.5 tt -129.74 -38.7 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 16.4 m -57.9 -27.26 63.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -51.09 -50.31 58.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.38 -48.74 71.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.5 mt -55.6 -51.68 66.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.82 -63.77 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.988 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 58.0 p -53.34 -32.69 50.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.16 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -70.65 -33.46 70.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.99 154.47 23.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 14.7 mt -133.61 -52.2 0.87 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.991 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.49 71.45 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.8 t -145.07 -60.07 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.07 -32.33 72.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.963 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.27 110.71 16.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -100.11 -31.41 11.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -54.18 -71.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.2 mt -177.21 146.57 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -28.19 67.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 3.1 m -50.77 -26.59 5.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -69.32 -69.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.8 m -48.47 -45.0 36.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.01 -45.59 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.048 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.6 -30.69 71.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.18 -55.26 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 13.0 pt -59.13 -39.51 78.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.21 -48.52 67.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -44.5 95.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 22.3 m -62.76 -44.04 97.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 17.8 tp -60.4 -47.49 85.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -59.59 -57.19 14.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -59.23 -30.94 68.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -74.92 -30.87 61.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 46.5 mt -74.88 -47.26 31.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -39.51 83.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 5.7 p -70.57 -35.51 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.227 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 22.6 m -75.23 -34.02 61.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -75.99 -35.3 59.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -33.19 40.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 23.6 m -77.36 -49.57 14.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.069 0.462 . . . . 0.0 110.964 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.0 t -51.71 -29.67 19.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.178 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 -52.85 106.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -115.71 16.67 16.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 13.9 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.175 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -140.88 67.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.2 t -127.21 135.43 63.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -89.02 87.41 7.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -86.99 171.72 10.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -103.38 28.03 17.4 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.431 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.5 t70 52.17 57.43 6.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.854 0.359 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 55.12 -175.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.2 t -102.66 -26.49 13.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -112.0 -175.03 2.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -119.55 33.64 5.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.0 p -99.38 167.41 10.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.205 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.11 159.67 58.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.55 0.69 . . . . 0.0 111.134 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -170.94 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.712 2.275 . . . . 0.0 112.351 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -80.48 -39.32 28.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -125.65 155.3 72.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.528 0.68 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 110.78 2.63 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 m -97.09 -15.97 7.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 63.48 41.24 7.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.013 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.3 p -95.58 161.47 14.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -51.91 -47.78 64.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.38 -51.2 60.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -36.56 78.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.7 t -63.68 -54.38 32.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.049 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.4 -52.1 54.74 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.513 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.06 -43.8 94.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.506 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.14 -49.5 74.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.743 0.306 . . . . 0.0 110.889 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.5 mm -54.05 -44.58 63.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.5 p -65.12 -43.16 92.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -58.56 -55.45 34.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.1 p -59.97 -35.55 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.102 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -48.63 80.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -65.78 -42.62 90.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.7 -46.43 89.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.7 mt -62.9 -47.09 94.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.092 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.6 t -57.82 -41.7 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.37 -43.71 69.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.8 ttt -65.73 -31.8 73.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -74.81 -50.71 16.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -68.74 -28.82 67.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -54.72 -38.09 66.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.9 mt -55.94 -26.55 48.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.38 33.16 4.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 58.79 37.06 25.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.05 43.29 93.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.567 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -91.69 120.29 32.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.4 p -63.41 -33.45 75.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.816 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -45.7 91.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.801 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.02 -29.95 32.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.7 mtp -61.26 -37.92 84.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.75 26.71 9.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -85.43 -60.78 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.95 26.45 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -103.42 28.82 6.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.55 -30.93 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.69 -32.26 4.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.34 -37.83 57.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.041 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -53.98 -29.2 42.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -117.15 27.07 9.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -146.55 30.07 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.45 -48.87 3.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.26 23.83 9.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.3 mt -83.99 159.25 60.42 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.648 0.737 . . . . 0.0 110.947 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.86 79.25 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.64 2.226 . . . . 0.0 112.346 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -108.01 160.73 15.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.6 mt -64.76 138.88 22.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -168.86 49.96 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.83 100.97 8.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.44 114.31 27.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.817 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -170.05 -179.65 3.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -103.52 95.73 1.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.78 28.92 7.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 110.926 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -142.25 36.83 1.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.77 36.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.9 t -163.87 162.92 23.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -144.88 -104.26 0.44 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.447 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.7 t80 62.93 90.44 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.9 0.381 . . . . 0.0 110.996 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 54.98 55.62 7.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.33 175.44 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.84 154.61 21.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.837 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.1 pt -99.86 27.26 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.082 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.43 125.08 29.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -136.12 -43.17 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 tp 60.67 171.27 0.09 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -126.36 53.6 1.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.7 mt -74.68 -40.56 47.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.4 t -53.63 -37.09 62.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.3 t -53.92 -52.46 60.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.69 -49.88 61.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tp -55.29 -46.83 76.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 mp -61.86 -48.98 78.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -51.4 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -57.4 -48.24 79.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -54.25 -45.71 72.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.1 m -63.81 -41.0 97.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -62.09 -64.51 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 pp -52.35 -40.14 61.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.67 -37.77 88.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.942 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -65.12 -49.25 70.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.027 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.4 ptm -68.38 -30.4 69.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.84 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -54.17 -36.6 63.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.977 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -45.16 93.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -105.76 82.49 1.8 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.0 mt -145.82 175.72 10.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.007 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.0 -176.04 5.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.09 -51.06 69.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -48.18 63.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -55.91 -40.01 72.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -51.98 45.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.825 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.54 -46.24 63.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -73.17 -36.58 66.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.8 77.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -55.68 -41.32 73.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.7 t -71.02 -35.72 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -51.94 42.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -64.86 -35.25 80.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -65.26 -49.97 67.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.797 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -60.72 -46.68 89.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.7 m -58.02 -48.84 78.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.256 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -58.51 -42.03 86.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 6.7 m -60.54 -55.35 34.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.065 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.55 -30.59 69.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 40.1 mt -71.2 -37.9 68.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.14 -40.63 71.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 85.7 mt -67.78 -48.64 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -64.57 -48.05 76.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -61.3 -40.9 95.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -62.45 -51.27 68.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -57.4 -51.88 67.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.3 t -61.02 -49.95 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -51.91 -44.9 64.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.023 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -68.71 -37.23 79.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -34.37 77.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -157.41 -75.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -179.43 -169.75 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.4 tp -170.68 143.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 18.8 m -114.77 -173.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.045 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.94 86.93 0.13 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.649 0.738 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 -41.9 3.77 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.618 2.212 . . . . 0.0 112.335 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -160.29 159.15 26.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.535 0.683 . . . . 0.0 111.175 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.73 166.53 27.23 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.615 2.21 . . . . 0.0 112.37 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 15.2 tt -117.36 -24.48 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -22.74 66.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -50.07 -48.22 53.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.771 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.63 -45.63 81.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 20.3 mt -57.82 -52.42 65.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.51 -62.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 65.9 p -51.9 -34.06 39.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.143 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -43.35 77.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -76.89 130.22 37.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -173.2 126.93 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 58.7 55.76 4.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 9.3 m -117.21 -36.83 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -170.23 149.49 3.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -128.25 118.57 23.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -173.88 50.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.811 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 63.3 m95 60.08 43.95 13.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.8 mp -99.81 -33.51 10.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -47.95 66.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.32 -26.83 13.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -69.17 -70.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 10.6 m -48.95 -44.03 40.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.207 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.18 -45.88 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.186 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -63.04 -30.04 71.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.76 -55.38 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 17.6 pt -58.07 -38.77 69.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.07 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.0 -50.15 57.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -52.17 66.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 55.9 p -60.07 -42.74 95.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.1 tp -55.98 -54.01 49.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -55.32 36.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.94 -49.69 65.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -53.62 -53.19 55.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 6.6 mp -55.38 -40.93 71.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -58.78 -62.55 1.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 6.1 p -57.8 -38.76 67.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 60.6 m -55.21 -52.22 64.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.69 -44.34 90.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.967 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -59.01 -29.45 67.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 7.1 t -82.53 -50.13 9.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 6.4 t -66.37 -16.35 64.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.072 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -83.79 -54.39 4.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 63.07 16.75 9.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 40.7 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.824 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.781 0.324 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 62.98 75.14 0.41 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.9 t -111.61 137.34 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -113.76 70.79 0.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 55.48 -178.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.62 36.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -110.19 122.74 48.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.844 0.355 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.71 159.36 42.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.8 t -67.04 -31.61 72.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.206 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -127.06 -177.55 4.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -140.02 26.05 2.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.5 p 47.18 90.53 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.164 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.27 159.63 2.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.519 0.676 . . . . 0.0 111.124 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 177.05 5.99 Favored 'Trans proline' 0 C--N 1.34 0.1 0 C-N-CA 122.7 2.266 . . . . 0.0 112.296 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -155.06 53.3 0.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 61.7 160.83 0.11 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.561 0.696 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 78.52 0.98 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.662 2.242 . . . . 0.0 112.369 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.8 m -82.82 -16.89 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 63.51 36.73 10.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.7 p -109.98 165.85 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 p -58.43 -40.28 82.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m -60.29 -51.65 68.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -62.11 -41.81 98.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.762 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.4 t -61.2 -54.34 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.15 -51.96 52.44 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.25 -40.94 94.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.543 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.38 -49.8 70.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.2 mm -55.44 -42.96 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.151 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.3 p -65.35 -44.23 88.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -57.76 -55.67 31.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.841 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.8 p -60.08 -36.85 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.04 -48.4 81.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -65.5 -42.07 92.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -61.87 -41.12 97.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.0 mt -66.17 -46.79 86.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.179 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.6 t -58.14 -48.12 85.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.263 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -66.5 -41.72 88.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.1 ttp -65.91 -32.14 73.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -72.9 -51.14 19.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.42 -28.86 66.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.93 -38.23 67.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.2 mp -61.29 -26.34 67.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 m -96.23 27.39 3.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t30 62.52 34.23 15.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.41 41.9 98.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.482 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -100.39 105.05 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.5 p -57.82 -26.46 62.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.81 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.8 -29.17 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.65 -28.03 69.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.1 mtp -58.49 -43.97 89.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -116.81 26.03 10.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -74.09 -60.43 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.8 23.33 13.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -76.21 -27.34 56.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.33 -29.73 25.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.13 -31.62 7.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.0 -28.4 51.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.074 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.55 -27.02 56.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -111.59 26.2 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -137.76 27.28 2.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 mt -103.64 -67.32 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 58.18 22.62 9.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.979 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mp -84.16 160.78 56.73 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.526 0.679 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 82.03 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -120.63 149.92 41.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.4 mt -56.33 143.08 10.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.62 155.82 33.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.23 176.62 9.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.1 m120 62.97 77.73 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.03 166.04 24.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 176.96 -31.99 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.44 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.99 141.38 58.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.796 0.332 . . . . 0.0 110.839 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -109.86 175.85 5.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -101.97 34.87 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.942 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -30.16 67.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.0 -122.79 30.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.556 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 59.78 26.54 15.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.899 0.38 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 57.15 92.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -125.99 -39.58 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.978 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 52.25 35.6 17.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.2 tt -102.97 -25.45 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.153 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 80.5 m -104.74 146.59 28.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.9 mt -119.36 141.23 49.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.64 99.64 3.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.35 79.63 5.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.8 mt -95.6 -29.68 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 m -71.0 -45.5 63.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -52.42 60.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.28 -49.77 68.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.531 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 mp -53.68 -47.06 70.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.918 0.39 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.96 -49.38 76.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.3 -53.37 56.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -55.58 -47.16 76.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.987 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -54.56 -47.48 73.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -38.81 91.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -61.33 -63.59 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.993 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 pp -55.14 -36.87 66.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.928 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -65.98 -36.97 84.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -68.77 -52.03 34.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -66.89 -28.09 68.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.834 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -63.49 -28.62 70.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.79 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -35.65 81.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -128.5 98.17 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.6 mt -148.8 177.96 9.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -75.15 -176.03 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -64.04 -51.22 65.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.9 -47.1 48.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -55.68 -34.18 64.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -68.8 -53.1 23.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.53 -45.07 69.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -72.24 -39.02 68.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.93 -46.4 74.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -55.66 -44.1 76.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 90.5 t -67.26 -34.19 67.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.3 -50.8 62.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -63.27 -41.82 99.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -60.31 -53.13 61.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -57.23 -46.26 83.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 22.2 m -56.47 -51.13 69.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.98 -34.67 73.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.1 m -64.63 -56.15 15.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.116 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.65 -31.38 72.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 67.9 mt -71.17 -38.03 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.076 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.42 -42.22 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.1 mt -66.8 -47.94 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -64.89 -50.05 68.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -59.4 -40.69 87.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -63.49 -49.45 73.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -57.21 -52.07 66.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.3 -28.06 42.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.165 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -69.15 -40.71 78.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.49 -41.73 54.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -57.99 4.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.84 -169.72 2.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -111.5 145.14 39.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.7 tp -177.0 125.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.27 150.02 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.31 155.33 75.77 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.62 0.724 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.431 ' HG2' ' H ' ' A' ' 146' ' ' THR . 53.1 Cg_endo -69.81 -86.55 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.683 2.255 . . . . 0.0 112.306 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.431 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -175.38 159.63 2.13 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.538 0.685 . . . . 0.0 111.149 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.9 156.32 63.26 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.736 2.291 . . . . 0.0 112.272 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 21.0 tt -116.56 -20.53 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.177 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.3 m -51.86 -33.32 35.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -51.85 -51.09 59.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.07 81.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 48.1 mt -60.77 -62.67 1.69 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.789 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.51 -51.27 65.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 46.9 p -58.06 -33.1 68.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -70.66 -34.28 71.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -72.71 -45.35 59.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.02 139.5 58.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.942 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -169.26 -61.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.4 m -157.44 41.28 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.935 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.19 154.77 31.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.45 -73.34 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.832 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 60.17 176.42 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -95.22 39.35 1.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.9 tt -104.9 -25.52 12.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -59.41 -30.18 68.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.93 -27.21 12.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -69.75 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.2 m -48.9 -45.35 41.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.53 -47.83 91.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -61.35 -32.04 71.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.51 -55.19 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.8 pt -61.17 -35.84 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -67.24 -50.95 58.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -58.27 -47.33 83.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 10.5 t -61.14 -46.52 90.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 18.5 tp -56.05 -51.36 68.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.67 -57.06 14.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -53.28 -50.04 65.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -57.03 -44.22 82.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 38.8 mt -57.9 -49.81 75.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -57.47 -53.88 53.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 65.0 t -55.2 -37.39 43.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.022 0.439 . . . . 0.0 111.249 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 30.5 m -70.29 -38.15 74.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.76 -38.54 86.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -81.27 -28.23 34.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 7.7 m -78.17 -41.62 34.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.802 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.0 t -65.39 -30.22 71.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -85.37 135.57 33.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -103.89 -17.79 14.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.205 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.4 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.805 0.335 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.01 99.45 2.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.6 p -59.5 149.38 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -115.46 148.11 39.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.26 -179.57 4.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.78 19.95 5.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.455 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -59.49 129.63 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.91 0.386 . . . . 0.0 110.808 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -136.45 163.26 30.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.7 t -117.69 -27.97 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 63.14 161.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.16 41.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.7 p 52.83 -173.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -112.59 159.57 33.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 111.153 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -171.13 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -96.38 -31.83 12.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.961 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.3 mmm-85 -125.59 155.34 72.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.59 0.71 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 81.64 0.81 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.737 2.291 . . . . 0.0 112.324 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -86.6 -14.23 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 63.6 51.46 2.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 t -108.95 158.99 17.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 p -51.44 -48.38 62.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -51.57 55.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -60.18 -39.87 87.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.5 t -64.03 -54.09 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.72 -51.86 49.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.64 -38.79 97.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.532 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.65 -43.56 89.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.28 -40.95 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.1 p -64.31 -47.1 80.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.232 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -61.47 -55.24 33.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.802 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.5 -33.7 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.9 mt -64.2 -48.46 75.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -63.23 -44.11 96.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.64 -47.13 86.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.9 mt -60.09 -48.93 86.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.052 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.3 t -54.69 -53.26 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.71 -40.28 83.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.3 tpt -65.52 -32.03 73.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.98 -48.99 41.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -70.13 -28.29 65.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -53.93 -44.69 70.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.1 mp -58.65 -25.94 63.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.834 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.9 m -95.81 26.09 4.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t30 63.01 37.87 11.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.58 27.68 27.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.443 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -84.5 107.99 17.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.921 0.391 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.7 p -54.97 -26.83 39.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.78 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.05 -44.93 94.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.6 t -53.68 -28.21 32.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.5 mtp -62.47 -41.3 98.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -123.73 38.27 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -90.92 -72.17 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -107.24 32.79 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.87 26.1 4.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.6 -30.86 14.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.06 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.01 -33.78 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.5 -38.7 88.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -54.4 -27.57 37.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -119.23 30.86 6.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 -139.34 24.19 2.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 mp -90.81 -34.21 15.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.63 22.06 9.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mp -84.09 160.67 57.15 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.678 0.751 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 78.47 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.27 . . . . 0.0 112.317 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -110.01 160.9 16.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.8 mt -76.33 140.5 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -160.3 37.53 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -150.16 70.67 1.04 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.823 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -108.44 60.98 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.975 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -122.09 167.66 12.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.65 101.79 1.33 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.453 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.57 115.77 1.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 30.9 t80 62.83 162.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 58.15 -179.9 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.2 m 56.14 75.32 0.34 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.138 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.47 -24.34 29.67 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 30.8 t80 62.22 46.53 6.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.932 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.73 146.74 43.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.56 164.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -162.67 26.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 mt -116.06 114.11 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.55 109.4 14.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.76 145.91 51.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.58 94.62 4.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -105.28 72.22 0.97 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.8 mt -104.87 -26.01 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -50.22 36.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.9 m -55.96 -52.31 64.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.87 -51.11 60.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 mp -54.61 -48.57 72.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.328 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.38 -49.15 75.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -55.27 -52.21 64.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -55.39 -44.22 75.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -59.95 -42.55 94.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.9 m -69.82 -29.37 66.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -72.57 -52.67 14.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 pp -63.46 -42.98 98.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -67.88 -33.16 74.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -67.54 -50.83 56.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 11.4 ttp -70.59 -36.3 73.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -51.6 -36.04 44.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -59.9 -38.52 82.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -123.71 95.78 4.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.5 mt -149.01 173.13 13.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -73.23 -175.94 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -51.33 68.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.803 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -71.92 -48.65 43.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -55.64 -32.15 62.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -66.71 -53.09 37.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.25 -42.43 81.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -72.67 -31.51 65.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.91 87.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.144 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -61.95 -50.45 72.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.83 -36.12 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -50.44 71.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -48.69 79.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -53.95 -51.76 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.87 -51.01 70.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.4 m -56.92 -48.08 79.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -54.74 -47.18 74.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.9 m -60.23 -49.63 76.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.102 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.89 -51.81 68.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 63.1 mt -57.8 -36.49 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -65.89 -47.07 76.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.5 mt -61.83 -51.85 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -61.35 -50.0 74.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -56.22 -39.54 72.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -64.87 -54.94 23.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -48.5 63.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.4 t -69.13 -32.89 55.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -69.3 -27.73 65.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -84.57 -46.04 11.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.6 mt -94.57 20.46 8.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 179.72 -169.42 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -157.32 103.39 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.9 tp -151.39 123.77 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 48.7 t -148.68 146.86 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.62 85.67 0.3 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.528 0.68 . . . . 0.0 110.823 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.437 ' HG2' ' H ' ' A' ' 146' ' ' THR . 54.8 Cg_endo -69.75 -86.03 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.658 2.239 . . . . 0.0 112.412 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.437 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 27.4 m 62.75 67.67 1.09 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.566 0.698 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 98.4 0.68 Allowed 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.407 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -122.9 -35.44 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.2 m -54.71 -47.15 74.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -51.9 -51.0 59.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.31 -53.68 47.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.8 mp -51.63 -53.07 42.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.86 -64.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 63.1 p -51.59 -32.83 30.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -67.28 -38.01 84.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -86.71 82.54 7.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.08 179.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -104.85 -73.85 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.76 167.1 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 58.02 179.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 59.13 27.72 16.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -179.33 129.82 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -95.82 32.88 1.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.953 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.7 -27.21 11.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.949 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -31.98 48.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 2.6 m -51.86 -27.0 11.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -69.54 -69.96 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.4 m -48.82 -45.87 41.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.85 -49.21 85.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -59.77 -31.0 69.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.64 -55.19 9.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 18.6 pt -61.62 -36.71 75.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.17 -53.12 33.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -56.58 -46.23 80.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.839 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -49.53 77.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.78 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.4 tp -53.89 -55.87 22.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -52.8 -55.77 20.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -52.92 -38.54 61.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -63.01 -50.49 70.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 22.3 mt -56.41 -48.3 77.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -57.84 -58.85 6.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 60.6 t -54.6 -48.45 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 97.5 m -51.68 -51.37 56.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 6.1 tp -61.13 -38.99 88.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -66.01 -30.38 70.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 39.0 t -75.35 -52.08 11.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.817 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.3 t -58.05 -34.57 70.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.099 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -66.32 90.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.85 -19.75 10.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.185 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.882 0.372 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -174.19 127.34 0.36 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.9 t -113.79 141.19 30.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -132.16 138.05 47.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -90.08 -179.62 5.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.9 34.43 5.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.546 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -118.02 155.54 30.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -119.09 156.87 28.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.0 t -121.62 -33.55 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.168 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 62.54 163.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -178.91 89.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -64.93 167.3 7.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.9 159.67 35.11 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.682 0.753 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -170.85 0.42 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.625 2.217 . . . . 0.0 112.382 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -85.65 -25.65 26.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.3 ptt-85 -136.67 156.51 76.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.596 0.712 . . . . 0.0 110.82 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 85.59 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.632 2.222 . . . . 0.0 112.403 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.9 t -78.51 -10.85 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 63.65 24.55 13.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.964 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.33 166.41 13.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -51.69 -45.93 63.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.84 -51.32 57.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -39.95 90.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 80.9 t -61.9 -54.22 37.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.0 -52.2 52.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.35 -38.33 93.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.524 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.05 -39.97 90.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.767 0.317 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.5 mm -63.91 -53.21 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 t -60.15 -37.83 81.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.17 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -66.97 -55.69 13.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.8 p -62.13 -32.39 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.7 mt -66.62 -48.3 69.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -63.73 -41.3 98.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -62.5 -47.93 81.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 37.7 mt -60.41 -45.75 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.065 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.2 t -59.49 -45.91 93.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -65.83 -44.65 84.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -31.83 73.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -75.29 -49.5 19.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.784 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -29.01 66.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -60.86 -30.08 69.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.4 mt -58.09 -34.22 69.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 54.8 m -96.69 37.31 1.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 56.77 27.65 13.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.57 43.33 77.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -100.35 108.22 20.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 110.915 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.3 p -56.26 -34.08 66.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -30.76 70.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -25.94 67.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.783 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.4 mtp -66.07 -49.76 66.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -113.67 37.06 3.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -71.01 -47.73 57.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.841 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.81 31.08 0.96 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.799 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -70.98 -23.16 62.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.09 19.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 pp -112.52 -37.72 4.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.87 86.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -56.75 -26.0 56.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -109.56 27.65 9.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -132.47 24.07 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mp -102.25 -42.24 6.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 58.13 24.04 10.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mp -83.89 160.61 57.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 78.69 1.01 Allowed 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.739 2.293 . . . . 0.0 112.305 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -119.12 147.46 44.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.4 mt -57.62 142.06 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.31 149.15 25.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.954 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -106.15 99.76 9.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -171.89 52.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.25 -179.81 0.15 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 151.68 -152.83 24.53 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 51.6 m -73.66 132.19 42.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.909 0.385 . . . . 0.0 110.808 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.79 -172.83 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -54.21 159.05 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.807 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 60.0 m 52.46 84.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -164.02 67.76 0.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -68.54 -59.9 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 110.918 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -86.17 172.31 10.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 59.29 87.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.53 97.82 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -123.52 44.59 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.131 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 6.5 p -140.65 153.47 46.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.29 173.09 11.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.2 pp -174.57 139.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -126.26 64.88 1.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 78.5 mt -62.22 -23.98 33.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.22 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.98 -41.66 86.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.747 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.85 -52.41 60.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.802 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.04 -51.21 46.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.511 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.42 -48.87 65.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.856 0.36 . . . . 0.0 110.94 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -49.07 76.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -56.12 -56.95 14.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -53.87 -46.14 71.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -55.3 -47.45 75.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -36.69 84.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -62.57 -63.21 1.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.1 pp -55.12 -42.58 73.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.47 -40.65 91.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -65.35 -52.02 56.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.6 ttp -65.26 -27.58 68.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -68.44 -25.97 65.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -60.31 -36.96 79.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -136.73 102.66 4.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.785 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.1 mt -149.09 166.91 27.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -60.01 -175.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.67 -51.21 63.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -71.97 -47.26 53.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -55.53 -36.25 66.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -68.49 -51.03 47.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -53.63 -46.45 70.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -72.14 -39.63 68.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.91 -42.94 72.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -55.72 -49.45 73.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.02 -41.42 90.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.184 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.67 -48.88 79.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -60.53 -49.59 76.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.81 -50.88 65.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -58.25 -45.0 88.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 13.6 m -56.33 -51.11 69.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -64.62 -31.25 72.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 60.4 m -70.4 -55.71 8.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.4 pp -61.36 -35.38 77.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 80.2 mt -71.89 -40.15 68.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.164 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -65.4 -42.79 92.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 9.4 mt -68.3 -47.72 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -64.85 -50.01 68.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -60.48 -40.77 92.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -63.29 -48.22 79.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -58.73 -52.16 66.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.7 p -65.63 -28.84 45.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -69.07 -41.61 77.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -74.68 -37.97 62.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.3 tp -72.27 -54.08 10.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -135.0 -169.64 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -173.13 1.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.829 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.8 tp -172.62 146.85 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 20.7 m -113.29 -174.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.406 ' HA ' ' HD2' ' A' ' 145' ' ' PRO . 0.1 OUTLIER -143.37 93.98 6.29 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.619 0.723 . . . . 0.0 110.912 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 144' ' ' LEU . 53.2 Cg_endo -69.84 -35.21 12.82 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.2 p 62.69 154.94 0.12 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.625 0.726 . . . . 0.0 111.115 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 146.67 60.9 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.685 2.257 . . . . 0.0 112.363 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.84 -35.59 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.173 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.19 -27.09 30.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.832 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -51.6 -50.91 59.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -51.92 -51.24 58.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.3 mp -55.79 -49.6 72.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.58 -63.14 1.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 45.0 p -51.59 -35.92 43.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.61 -35.18 75.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.63 100.82 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.5 mt -95.35 -178.15 4.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.835 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 56.27 80.78 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.6 t -65.75 114.29 4.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -113.83 103.5 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 3.7 tttt 61.28 178.81 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.978 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.69 33.74 2.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -102.26 -33.03 9.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 8.8 mt -82.63 -27.06 31.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -34.6 71.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 26.0 m -52.18 -26.56 11.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -69.56 -69.79 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.5 m -48.99 -45.51 42.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.32 -47.69 92.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -61.59 -31.66 71.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.74 -55.11 10.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.4 pt -61.05 -36.18 70.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 9.1 mt -67.42 -50.27 60.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -58.41 -47.21 84.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -45.92 91.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.834 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 20.5 tp -55.6 -58.09 9.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -54.31 -53.12 58.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -53.17 -49.18 67.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -64.04 -28.66 69.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.55 -65.69 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -41.45 69.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 38.1 t -63.29 -52.47 58.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 26.7 m -56.69 -39.71 74.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.16 -55.65 20.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -63.06 -25.53 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 8.4 t -72.52 -48.2 42.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.0 t -69.57 -25.02 63.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -86.28 162.15 18.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -59.88 -20.85 59.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.106 -179.898 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.835 0.35 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -111.04 79.58 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.2 t -84.86 146.55 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.149 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.82 105.81 16.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 55.47 -178.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.776 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.58 -41.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.8 t0 56.52 -179.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -111.95 170.16 8.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.3 t -123.0 -34.85 3.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.136 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.29 -178.2 4.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -152.4 26.18 0.6 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.0 p -116.57 146.9 42.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.038 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.77 159.61 35.13 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 121.514 0.673 . . . . 0.0 111.219 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -175.44 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.634 2.223 . . . . 0.0 112.275 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.66 -43.98 5.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 -142.79 154.92 63.08 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.603 0.716 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 88.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.627 2.218 . . . . 0.0 112.348 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -82.85 -11.77 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 63.62 24.4 13.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.35 168.08 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.3 p -51.57 -45.3 63.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.5 p -54.79 -51.63 65.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -61.09 -41.46 96.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.1 t -61.68 -54.28 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.78 -52.0 51.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.35 94.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.97 -48.16 80.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.33 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.2 mm -55.73 -43.86 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.053 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.9 p -65.23 -43.06 92.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.062 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -59.41 -55.22 37.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.7 p -59.93 -36.02 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.059 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.74 -48.28 82.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -65.1 -41.61 94.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -62.16 -45.37 93.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.8 mt -62.69 -46.76 95.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.4 t -58.51 -46.56 89.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -67.07 -43.2 83.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -31.96 73.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -51.24 21.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.48 -28.89 66.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.87 -33.81 70.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.8 mt -55.75 -38.03 69.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -94.83 37.99 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 58.67 32.4 22.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.981 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.4 36.62 91.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -92.27 109.89 21.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 64.2 p -57.29 -37.36 72.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.53 -34.1 66.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.08 -25.88 67.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 43.0 mtp -70.58 -41.92 71.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -112.48 38.46 2.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.976 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.27 -61.52 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.76 23.13 14.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -83.5 -26.24 30.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.68 -56.31 23.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.08 -39.13 56.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.52 -32.2 62.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -56.04 -26.19 47.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -128.5 35.62 4.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -151.17 35.72 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.79 142.88 33.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.05 -23.56 21.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.833 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mt -77.65 154.54 81.16 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.6 0.714 . . . . 0.0 110.989 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 141.2 44.64 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.666 2.244 . . . . 0.0 112.278 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -140.64 157.55 45.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.781 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 56.8 mt -90.45 135.91 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.04 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -117.01 65.26 0.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.16 -75.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -171.55 164.1 6.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -102.53 -64.74 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.58 113.43 0.66 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.522 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 19.9 m -138.85 102.26 4.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -171.75 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -76.03 -32.07 59.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.93 138.7 34.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -145.85 30.25 1.67 Allowed Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.516 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 52.17 39.22 26.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.935 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 57.66 68.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.1 -72.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 56.99 86.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 12.6 pt -116.85 -36.83 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 31.0 m 51.95 42.67 30.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.5 tp 72.41 -67.63 0.26 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.3 98.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -135.67 52.47 2.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.966 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 80.6 mt -95.81 -23.9 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.7 t -71.07 -40.23 71.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.0 t -53.76 -52.35 60.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.95 -48.44 60.53 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.22 -54.66 32.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 110.843 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.27 -49.17 78.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -53.55 -56.29 18.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -54.5 -46.46 73.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.82 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -54.22 -47.32 72.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 p -63.57 -39.11 93.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -60.91 -64.55 0.92 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 pp -54.19 -40.94 68.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.89 -31.92 73.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -70.64 -49.77 43.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.7 ptm -72.94 -25.85 61.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -64.49 -30.57 71.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.788 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -60.08 -43.57 95.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -117.33 91.76 3.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.0 mt -146.83 178.11 8.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -78.8 -176.04 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -63.85 -51.06 66.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -69.49 -48.44 60.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.0 mmtm -55.75 -39.77 71.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -68.06 -49.76 59.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.95 -47.81 64.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -38.35 74.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.42 -43.99 75.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -55.68 -39.49 71.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 99.4 t -72.59 -38.55 59.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.06 -51.24 59.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.949 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -63.66 -44.37 94.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -57.63 -52.88 63.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.782 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -57.2 -47.62 80.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 23.3 m -53.89 -50.19 66.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -62.15 -34.48 76.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 20.5 m -65.78 -56.22 13.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.88 -32.84 73.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 67.4 mt -71.27 -37.81 67.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.23 -40.76 74.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 65.7 mt -68.02 -50.08 62.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -62.78 -48.55 78.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -62.37 -39.2 92.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -61.74 -53.72 52.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -59.02 -51.64 69.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 85.2 t -60.35 -35.14 60.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -67.38 -41.49 84.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -71.31 -33.06 69.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.808 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.32 -31.52 43.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -162.96 167.97 21.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.772 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -66.1 -179.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -175.62 144.48 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.4 m -115.59 145.68 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.99 141.72 75.26 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.607 0.718 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 -48.14 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.574 2.183 . . . . 0.0 112.296 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.4 m 64.84 68.21 0.77 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.589 0.709 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 151.12 69.27 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.768 2.312 . . . . 0.0 112.334 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.5 tt -117.45 -15.91 8.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.69 -40.1 59.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -51.13 -49.48 60.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.26 -53.99 46.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.058 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.6 mp -51.74 -52.27 49.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.22 -64.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 57.2 p -51.77 -32.87 32.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -66.34 -36.03 81.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.24 169.02 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 60.08 89.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -110.91 -74.47 0.64 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.5 t -179.12 -73.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.02 176.02 6.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.975 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 52.72 53.64 11.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -84.18 147.42 27.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 63.1 -177.26 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.1 mp 56.08 65.77 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 5.4 ptt85 -67.23 -28.04 67.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.91 -26.58 6.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.35 -68.95 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.4 m -48.54 -45.09 36.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.5 mm -62.91 -45.4 98.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -63.39 -31.19 72.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.015 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -55.31 8.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 13.5 pt -59.29 -39.21 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 57.3 mt -67.65 -47.2 70.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -49.99 75.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 53.4 m -62.43 -41.9 99.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.4 tp -57.3 -51.23 70.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -60.73 -56.45 21.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -52.94 -46.66 68.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.58 -38.94 89.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.32 -62.18 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -51.87 -46.5 64.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 77.2 t -60.98 -49.72 83.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 52.3 m -51.79 -52.61 47.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.185 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.1 tp -59.06 -46.65 87.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 57.2 ttm-85 -60.54 -28.86 68.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 41.5 t -75.82 -51.73 11.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.794 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.2 t -62.36 -28.87 70.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -54.68 150.49 9.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -84.18 -18.25 37.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 41.2 p . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 -179.88 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.816 0.341 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -139.15 97.56 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.2 p -116.82 138.43 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.058 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -163.43 89.46 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -110.37 177.25 4.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.12 50.63 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.515 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -156.52 60.91 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.868 0.366 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -136.03 163.74 29.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.3 t -118.02 -42.15 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.108 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.09 -178.4 0.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.36 29.48 15.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 t -151.53 149.73 29.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.231 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.08 159.53 72.01 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.636 0.731 . . . . 0.0 111.105 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -171.26 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.705 2.27 . . . . 0.0 112.372 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -120.25 -37.3 3.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.48 157.25 18.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 90.12 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.6 t -90.64 -16.78 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 63.52 26.03 14.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.55 162.75 13.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -51.61 -47.43 63.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.68 -51.56 54.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.933 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -60.59 -39.98 90.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.1 t -63.42 -54.18 36.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.069 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.59 -51.89 51.76 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.84 -38.0 95.26 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.55 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.23 -43.88 80.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.703 0.287 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.6 mt -63.73 -37.9 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.111 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.6 p -68.28 -46.41 70.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -60.68 -55.25 35.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.3 p -59.45 -39.04 78.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.55 -48.75 79.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -63.31 -44.45 94.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.32 -44.71 95.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.963 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.7 mt -61.28 -48.1 90.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.6 -52.64 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.49 -43.77 84.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.8 ttt -66.91 -31.88 72.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.9 ttp85 -73.42 -51.29 17.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.54 -28.55 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -53.9 -43.17 69.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mp -54.08 -28.73 41.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.3 31.36 2.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 t30 57.43 27.24 13.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.76 43.21 99.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -85.49 105.69 16.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 110.806 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.5 p -53.37 -29.9 36.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.38 -33.73 58.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.8 t -59.65 -27.77 66.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.0 mtp -70.47 -38.37 74.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -109.98 26.26 10.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -82.69 -62.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.55 36.28 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.93 26.3 4.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.46 -27.67 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.51 -33.84 4.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.013 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.04 -41.6 83.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.997 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -60.03 -31.51 70.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -106.52 28.98 7.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.74 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -144.0 26.3 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.45 138.8 34.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.39 -25.66 16.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.03 160.71 45.39 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.656 0.741 . . . . 0.0 110.834 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 137.24 34.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.739 2.292 . . . . 0.0 112.283 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -147.78 124.32 11.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.3 mt -55.06 143.45 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.37 51.77 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.67 161.85 38.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.847 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -168.51 42.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -176.98 123.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.7 -175.76 18.91 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.453 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.9 t 60.81 94.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.377 . . . . 0.0 110.933 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -124.68 138.49 54.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.835 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.24 133.22 44.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.9 t -108.18 -26.46 10.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -147.99 -96.87 0.18 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.439 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -120.69 -58.56 1.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.943 0.401 . . . . 0.0 110.964 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -145.93 49.15 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -99.26 -179.02 4.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 62.55 169.95 0.13 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.6 tt -125.24 144.9 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.26 127.57 14.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.4 mt -75.65 172.94 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.41 -65.07 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.5 mttm 57.97 38.1 26.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 60.4 mt -106.62 -29.31 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.25 -49.37 75.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.7 p -56.71 -52.08 66.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.785 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.67 -51.74 56.18 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.411 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.18 -45.56 92.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.883 0.373 . . . . 0.0 110.923 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -44.9 95.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.65 -51.13 71.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -56.44 -48.24 77.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -56.63 -47.23 80.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.7 m -64.04 -34.3 77.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -64.98 -61.95 1.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.964 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 pp -56.15 -41.82 76.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.52 -35.83 82.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -70.15 -52.06 26.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.974 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -67.07 -26.76 66.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -64.74 -30.89 71.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -59.93 -37.0 78.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.51 96.96 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.2 mt -148.16 175.28 11.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -75.85 -178.89 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -60.14 -51.22 70.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -73.07 -47.34 45.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -55.66 -36.29 66.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -67.78 -50.07 58.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.95 -46.78 75.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -71.04 -40.12 71.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.962 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.99 -44.34 74.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.75 -49.7 72.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.5 t -60.66 -42.3 91.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -50.02 75.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.7 tm0? -59.31 -48.52 81.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -53.78 -53.15 56.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -55.72 -48.12 75.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.0 m -58.21 -49.37 77.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -54.88 -45.58 74.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.3 m -61.28 -54.52 42.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.149 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.36 -51.9 63.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 60.6 mt -59.5 -36.5 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -62.8 -47.88 81.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 64.8 mt -62.53 -53.16 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -59.57 -50.05 75.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -58.51 -36.94 74.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -64.64 -50.12 68.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.6 -52.5 65.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.5 m -62.96 -32.07 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.16 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -66.98 -42.8 84.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -76.05 -27.53 57.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.53 -5.73 46.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 66.19 31.17 8.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -140.39 84.62 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.933 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.1 tp -171.82 140.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.062 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.0 m -153.09 147.91 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.3 tt -150.41 135.48 9.91 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.616 0.722 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.442 ' HG2' ' H ' ' A' ' 146' ' ' THR . 54.9 Cg_endo -69.66 -86.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.244 . . . . 0.0 112.424 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.442 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -179.22 158.76 0.93 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.504 0.668 . . . . 0.0 111.179 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 115.8 4.26 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.676 2.25 . . . . 0.0 112.269 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -124.59 -36.35 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.2 m -58.97 -47.36 85.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.807 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -51.58 -48.04 63.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -57.0 -52.79 63.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.5 mp -51.53 -56.06 15.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.27 -63.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 78.8 p -51.06 -32.93 23.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.32 -31.46 54.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 8.2 tttp 60.55 97.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -104.12 136.37 43.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.95 179.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.908 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.49 75.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.21 -75.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -168.37 -58.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.52 161.85 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.815 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 22.5 p-90 -147.3 100.34 3.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 33.3 mt -101.0 73.63 1.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -33.41 72.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.78 -26.5 5.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -69.58 -69.07 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.778 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 95.4 m -48.51 -44.83 36.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.222 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.1 -45.7 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.17 -32.22 73.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -55.13 10.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.7 pt -60.22 -36.12 66.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 25.1 mt -67.26 -55.61 13.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -54.41 -46.55 73.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.986 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 3.6 t -61.45 -46.56 89.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.8 tp -54.32 -56.89 13.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.04 -52.89 61.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.33 -45.13 72.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -62.04 -37.28 84.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 2.6 mt -63.95 -59.49 4.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.03 -43.94 70.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.51 -52.8 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 52.1 m -50.34 -44.83 54.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.5 tp -67.18 -45.48 76.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -25.17 66.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 47.6 t -82.35 -50.84 8.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.8 t -65.55 -14.49 61.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.176 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.75 -30.13 70.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 63.14 16.71 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.86 0.362 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -114.7 89.89 3.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 p -106.32 141.5 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.061 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 ttm-85 -108.12 66.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 55.47 -178.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.76 -19.96 9.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.472 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -108.88 172.06 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.923 0.392 . . . . 0.0 110.795 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -109.95 -177.2 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.0 t -119.42 -33.68 4.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.15 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -54.73 157.86 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -167.44 45.76 0.05 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 p 47.07 90.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.28 159.68 2.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.699 . . . . 0.0 111.059 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -179.93 3.25 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.707 2.272 . . . . 0.0 112.375 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -82.28 -23.96 34.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.28 157.09 76.21 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 111.03 2.69 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.616 2.211 . . . . 0.0 112.314 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -91.7 -15.64 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 63.32 25.45 14.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.012 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.83 166.86 11.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.15 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 p -51.5 -45.88 63.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 p -52.95 -51.92 59.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -40.14 89.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.2 t -63.59 -54.36 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.54 -52.23 46.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.54 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.5 -37.96 95.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.92 -50.85 61.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.957 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.1 mt -57.2 -41.78 78.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.9 p -65.17 -45.96 82.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -57.15 -55.42 35.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.96 -35.83 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.224 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.82 -48.43 81.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -65.55 -42.12 92.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.06 -45.66 93.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.4 mt -62.46 -50.09 81.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.2 t -54.01 -54.37 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.182 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -57.75 -43.63 85.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.6 ttt -64.57 -31.8 73.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -69.74 -51.27 35.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -70.99 -28.47 64.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.35 -31.6 63.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.1 mt -58.45 -35.23 71.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 79.7 m -95.9 37.2 1.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 56.8 30.79 18.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.43 35.62 91.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -88.73 119.24 29.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.822 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.4 -33.55 74.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.77 -42.16 88.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.11 -29.86 65.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 30.6 mtp -70.19 -29.63 66.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -117.32 28.6 8.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.65 -58.14 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.49 23.56 13.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -105.13 26.31 9.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -102.79 -39.23 7.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.77 -28.79 8.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.16 -31.41 61.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.041 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -55.92 -27.94 54.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.842 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -124.18 37.42 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -149.32 28.12 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.43 134.17 39.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.951 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.26 -26.63 30.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mp -66.77 160.72 66.82 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 101.82 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.66 2.24 . . . . 0.0 112.378 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.69 146.03 40.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 17.0 pt -119.76 163.87 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -135.4 -72.91 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -179.22 116.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -160.01 -59.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.24 169.16 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 167.71 55.17 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.494 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 7.7 p -175.51 48.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -135.16 155.03 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 60.43 85.1 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.984 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.73 149.72 34.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.058 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 138.51 -75.71 0.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -80.69 92.14 5.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.941 0.401 . . . . 0.0 110.991 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.3 m120 62.3 165.08 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.42 115.72 11.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.56 145.77 35.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.7 tt -52.56 147.46 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.16 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 4.1 t -120.1 -36.59 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.58 96.6 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -172.2 155.36 3.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.0 tttt 59.23 -172.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mt 71.03 -69.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.9 -49.32 59.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.6 t -54.04 -52.59 60.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.44 -49.64 72.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.54 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -51.93 -48.3 64.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -49.45 76.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.818 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.81 -51.26 68.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -57.21 -47.11 82.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -54.19 -49.26 69.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.6 t -62.71 -37.16 85.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -61.45 -64.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.918 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 pp -54.63 -39.04 67.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -64.31 -36.66 84.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -69.39 -51.83 32.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.953 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.7 ptm -66.01 -32.76 74.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -26.24 67.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -63.39 -36.98 85.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -126.91 96.99 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.0 mt -149.0 174.31 12.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -75.97 -176.24 3.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.85 -51.1 69.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -71.52 -47.49 54.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -55.82 -39.1 70.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.04 -49.11 66.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.16 -49.87 68.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -69.6 -39.66 77.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.823 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.86 -43.71 73.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.022 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -55.75 -49.31 73.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.1 t -61.69 -42.62 95.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.43 -48.4 79.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -62.25 -48.98 77.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -53.92 -53.25 55.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -56.65 -50.6 71.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 32.8 m -52.25 -43.94 64.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -68.23 -33.75 74.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.0 m -65.63 -56.75 10.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.69 -43.12 99.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 75.5 mt -64.33 -35.18 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.177 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -71.23 -40.47 71.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 21.4 mt -66.21 -49.3 77.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.157 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -65.14 -49.02 71.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -58.41 -42.82 88.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -63.21 -53.99 44.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -57.31 -49.78 75.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.6 t -63.57 -33.82 63.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.199 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -69.01 -36.48 77.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -73.28 -43.29 61.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.802 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.9 mt -72.38 -58.01 3.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.966 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -123.69 -169.84 2.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.43 176.61 5.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.6 tp -176.06 146.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 10.8 m -142.87 179.88 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.231 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -177.71 137.51 0.39 Allowed Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 121.574 0.702 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.447 ' HG2' ' H ' ' A' ' 146' ' ' THR . 53.3 Cg_endo -69.88 -85.88 0.0 OUTLIER 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.699 2.266 . . . . 0.0 112.294 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.447 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 0.1 OUTLIER 179.51 147.63 0.43 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.557 0.694 . . . . 0.0 111.141 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 143.27 49.76 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.309 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 15.1 tt -116.22 -21.82 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 7.4 m -51.79 -35.57 44.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -51.81 -50.65 60.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.03 93.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 25.1 mt -58.66 -64.58 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 13.6 mt -51.76 -54.3 30.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 68.7 p -55.86 -32.93 64.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -72.0 -26.61 62.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -58.23 -61.71 2.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.48 176.5 10.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -118.53 -33.57 4.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.64 153.16 31.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 59.1 66.27 1.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.62 54.16 1.94 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -111.51 50.41 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 16.7 p-90 -107.06 -27.09 10.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 9.7 tp -167.29 32.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -80.24 -29.83 38.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.8 -26.61 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -69.54 -68.86 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.7 m -48.44 -44.78 35.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.38 -46.13 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.182 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.97 -31.35 72.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.975 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.65 -55.01 9.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 17.4 pt -60.28 -37.05 72.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.053 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.2 -54.9 16.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -55.21 -47.72 74.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 4.8 t -59.5 -47.88 83.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.8 tp -54.01 -55.74 24.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -54.0 -57.12 12.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -53.67 -40.12 65.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -60.69 -52.07 66.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 7.1 mp -56.7 -43.59 80.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -59.73 -50.15 74.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.99 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.01 -49.61 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 21.5 m -57.03 -39.15 74.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.47 -55.99 14.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -62.58 -24.88 67.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 9.2 t -74.16 -48.04 31.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 12.5 t -72.03 -26.51 62.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -78.06 156.77 29.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.8 -20.85 59.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 20.4 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 -179.842 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.825 0.345 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.78 96.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.2 p -99.43 141.21 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -135.57 114.9 12.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -130.18 178.29 6.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.75 -19.79 2.0 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.99 135.44 57.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -113.84 176.65 4.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.7 t -120.91 -32.94 3.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.102 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.97 147.62 6.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -161.6 33.75 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.7 p -89.34 161.89 16.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -103.41 159.66 28.6 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 121.646 0.736 . . . . 0.0 111.038 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 -179.28 2.84 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.6 2.2 . . . . 0.0 112.366 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -151.94 46.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 61.71 160.86 0.11 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.6 78.76 0.94 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.76 2.306 . . . . 0.0 112.376 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.59 -13.01 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 63.48 24.87 14.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.73 161.61 14.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -51.58 -47.98 63.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.6 -51.41 55.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -61.24 -38.68 87.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.0 t -62.62 -54.25 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.44 -52.04 54.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.44 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.84 -40.8 95.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.71 -37.81 87.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.782 0.325 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.4 mm -63.99 -53.48 43.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.6 t -60.71 -37.97 83.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.189 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -63.02 -55.71 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.823 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.4 p -61.27 -32.08 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.041 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.61 -48.28 75.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.5 t90 -64.59 -44.69 89.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.78 -46.5 87.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.6 mt -61.83 -47.68 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.1 t -56.05 -43.17 74.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -68.11 -41.92 81.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -32.26 73.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -49.35 22.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -70.06 -28.96 65.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -55.03 -34.27 63.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.69 -33.94 76.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.25 27.73 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.05 36.56 21.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.83 43.84 94.53 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.566 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -86.94 125.76 34.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.0 p -67.17 -39.31 86.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -35.77 80.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -57.91 -27.3 63.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.2 mtp -69.1 -47.56 64.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.817 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -104.49 33.64 3.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -85.89 -58.17 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.94 22.93 14.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.816 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -98.73 33.27 2.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.5 -32.47 5.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.18 -29.42 5.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.62 -32.63 65.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -58.35 -27.47 64.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -114.9 31.98 6.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -148.98 30.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.27 153.55 19.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.74 -25.97 13.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.1 160.67 46.33 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.595 0.712 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 140.21 42.19 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.598 2.199 . . . . 0.0 112.404 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -146.21 141.65 27.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.2 mt -72.16 139.72 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -129.72 -39.75 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.994 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.21 -75.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 53.02 84.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.61 177.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.56 176.31 17.62 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 26.1 p -146.39 131.66 18.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -149.3 28.93 0.8 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.961 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -122.65 38.37 4.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.92 114.16 22.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.4 -153.66 52.1 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.418 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -131.17 -42.32 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.919 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -116.2 45.07 1.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.75 -68.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 58.47 60.1 2.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.812 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 10.3 pt -144.68 172.0 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 8.6 m -145.59 -66.82 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -176.14 160.17 2.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 tp -173.86 127.2 0.38 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.64 98.72 4.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.2 mt -118.4 -29.6 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 p -68.14 -43.99 77.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -52.3 61.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.876 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.56 -51.06 60.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.5 mt -53.67 -52.29 60.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.887 0.375 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.02 -47.67 80.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -53.57 46.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -57.78 -44.93 86.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -57.16 -47.05 82.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.794 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -35.94 82.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -63.22 -62.11 1.91 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 pp -57.01 -42.21 79.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.27 -31.31 72.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -70.7 -52.19 22.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.5 ptm -71.19 -27.89 63.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -56.17 -37.76 70.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -59.85 -41.03 90.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.01 87.05 2.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.0 mt -149.09 178.03 9.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -82.41 -175.85 5.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.74 -51.31 67.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -65.68 -51.87 56.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -55.7 -33.85 64.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -50.93 61.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -45.31 86.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -70.6 -32.85 70.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.5 -36.25 80.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -65.37 -50.75 64.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.4 p -63.69 -38.66 82.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.29 -49.16 75.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.65 -49.79 76.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.3 mtp85 -54.74 -53.07 59.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -54.47 -47.29 73.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.5 m -58.93 -50.09 75.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -56.45 -37.17 69.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 89.1 m -66.34 -56.48 10.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.169 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.1 -31.27 66.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.965 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 76.7 mt -73.47 -41.3 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -44.79 93.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.4 mt -68.31 -53.24 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -57.26 -50.11 73.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -62.96 -39.18 93.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -56.82 -52.84 63.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.35 -52.54 61.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.9 t -53.55 -42.16 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.142 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -69.24 -37.83 78.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -72.17 -19.99 61.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.792 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.44 1.4 29.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 65.74 33.45 8.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.57 79.29 1.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.5 tp -139.95 143.43 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 3.0 t -114.05 160.93 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.15 141.56 54.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.683 0.754 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.75 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.726 2.284 . . . . 0.0 112.368 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.6 m 62.38 68.03 1.11 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.551 0.691 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 123.17 9.84 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.749 2.3 . . . . 0.0 112.364 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.1 tt -131.78 -39.1 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.211 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -40.64 61.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -50.76 -51.02 54.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.3 -46.17 76.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 18.1 mt -55.97 -55.52 31.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.5 -62.58 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.954 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 69.6 p -52.56 -32.85 43.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -69.33 -33.53 73.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -75.15 130.17 38.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.08 139.33 35.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -140.12 178.66 7.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 10.4 p -84.95 136.86 33.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.804 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 60.34 177.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -121.94 60.17 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -174.37 97.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -153.87 -61.62 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -164.14 35.4 0.08 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -80.98 -27.91 35.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.979 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.8 -26.44 5.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.16 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -69.47 -69.09 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 85.7 m -48.54 -45.46 37.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.0 mm -62.33 -46.17 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -62.46 -32.53 73.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -55.16 11.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.4 pt -60.49 -36.02 66.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.07 -51.72 50.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -58.99 -44.95 91.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.83 -44.57 96.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.0 tp -58.68 -58.06 10.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.11 -56.0 19.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -55.73 -39.99 71.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -66.45 -30.55 70.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 57.5 mt -72.05 -51.8 19.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.9 -44.45 91.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 18.6 m -69.2 -36.54 73.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.5 m -60.9 -48.6 81.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.149 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.9 tp -69.52 -44.86 70.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -60.76 -28.88 69.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 8.5 t -82.61 -49.75 9.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.0 t -63.63 -15.78 59.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 4.4 mtm-85 -63.15 177.0 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -96.65 -18.26 19.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.706 0.289 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -170.54 128.41 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.6 p -71.69 135.61 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.21 149.21 48.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -143.41 161.55 38.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 178.39 46.45 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.469 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -56.39 147.74 20.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -125.91 163.57 22.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 t -116.82 -24.24 7.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.187 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -51.92 141.79 16.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -172.96 42.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.1 p -75.99 -178.1 4.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -91.36 159.64 38.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.724 . . . . 0.0 111.182 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 176.82 6.19 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.712 2.275 . . . . 0.0 112.374 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -155.22 53.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 63.57 153.92 0.12 Allowed Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.683 0.754 . . . . 0.0 110.813 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 108.7 2.13 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.0 p -108.3 -20.4 6.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 64.7 47.16 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.1 p -119.79 158.94 25.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.167 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.74 -35.56 32.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -45.64 70.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.51 -51.16 70.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.3 m -61.5 -42.58 94.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.19 -52.42 52.66 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.558 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.26 -38.01 95.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tt -68.05 -34.28 76.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.339 . . . . 0.0 110.963 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.2 mm -69.11 -49.01 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 t -63.86 -40.43 96.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.187 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -65.17 -55.37 19.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.6 p -59.85 -32.87 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.5 mt -65.77 -48.66 71.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -62.92 -41.94 99.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -62.58 -46.07 90.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 34.8 mt -59.51 -47.69 89.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.146 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.1 t -58.21 -55.35 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -59.37 -44.45 92.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.7 ttt -63.72 -31.7 72.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -51.33 32.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.813 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -70.43 -28.31 64.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.09 -30.83 64.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.1 mt -58.36 -34.14 70.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 92.5 m -95.52 35.81 1.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 t30 60.23 28.05 17.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.03 39.92 97.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -94.74 112.4 24.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 t -55.47 -26.84 44.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.785 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -63.15 -42.6 99.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.2 t -58.03 -35.47 71.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 19.9 mtp -54.98 -39.69 69.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -120.22 31.84 6.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -85.3 -63.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.71 27.7 6.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.8 27.66 3.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.9 -31.93 9.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.14 -35.47 4.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.969 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.88 -28.72 24.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -57.17 -26.18 60.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -125.46 30.41 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -143.74 25.89 1.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.25 -47.96 5.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.03 23.04 9.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.2 mt -84.19 159.26 59.83 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.635 0.731 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 78.96 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.63 2.22 . . . . 0.0 112.382 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -116.86 151.66 36.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.5 mt -64.82 114.67 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -146.86 158.48 43.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.963 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.19 89.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -79.14 139.78 37.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -103.9 -40.56 6.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.81 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.68 79.32 1.37 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.535 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.93 108.98 15.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 110.83 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -146.91 167.24 24.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -55.63 135.81 50.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.0 t -128.14 -39.17 1.75 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -143.91 -61.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.523 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -163.77 -41.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.337 . . . . 0.0 110.926 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -78.7 159.69 27.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -148.29 114.09 5.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -127.11 168.71 14.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 41.6 pt -63.95 149.96 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 9.4 m -106.54 26.27 10.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.1 mt 59.59 94.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.75 -32.32 9.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.0 mptt 55.82 73.8 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.8 mt -108.29 -24.56 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.071 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.85 -46.74 62.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.81 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.5 p -53.83 -52.33 60.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.911 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.31 -49.73 71.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.6 mp -56.86 -45.17 82.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.371 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.85 -49.31 77.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.2 -54.42 45.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -53.88 -48.13 70.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -54.34 -49.17 70.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.821 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.1 m -61.56 -35.53 78.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -64.15 -64.45 0.88 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 pp -53.22 -38.75 63.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -39.27 90.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -67.56 -37.6 82.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.8 ttt -74.95 -37.72 61.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.806 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -25.95 64.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.974 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -59.93 -41.21 91.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -129.66 98.67 4.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.5 mt -147.23 176.69 9.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -82.1 -175.95 5.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.82 -51.26 68.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -69.17 -49.75 53.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -55.65 -35.8 66.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.89 -48.91 64.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.34 -46.75 79.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -70.73 -42.29 70.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.4 -40.67 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -55.71 -43.32 76.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.2 t -73.03 -34.62 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -50.72 60.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -66.62 -44.22 82.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -58.19 -53.48 57.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -58.99 -48.76 80.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 90.7 m -52.99 -45.14 67.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -35.37 80.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.3 m -67.6 -56.56 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.1 pp -60.54 -37.11 80.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 46.0 mt -70.16 -36.35 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -67.21 -44.51 79.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.7 mt -67.38 -52.12 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.51 -50.24 74.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -61.37 -40.57 94.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -59.5 -47.63 84.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -62.52 -52.29 64.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 62.6 t -58.91 -41.33 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -69.16 -38.15 78.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -65.39 -37.24 86.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.894 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.9 tp -51.43 -36.19 42.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -165.63 -77.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.848 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 178.18 147.41 0.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.961 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.9 tp -177.42 122.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.8 m -155.41 140.42 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.129 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.59 85.22 0.3 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.752 0.787 . . . . 0.0 110.959 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.459 ' HG2' ' H ' ' A' ' 146' ' ' THR . 53.6 Cg_endo -69.81 -84.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.601 2.201 . . . . 0.0 112.381 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.459 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 41.8 p 47.19 67.42 4.48 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.599 0.714 . . . . 0.0 111.169 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 129.89 18.31 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.757 2.305 . . . . 0.0 112.357 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.4 tt -130.15 -39.29 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.5 p -50.53 -47.11 57.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -54.49 -37.65 65.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.811 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.53 85.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 12.3 mt -61.85 -52.85 62.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 47.8 mt -59.55 -53.21 60.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 69.4 p -59.75 -32.97 71.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -63.98 -38.17 90.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 61.06 82.37 0.17 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -61.34 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.82 134.71 40.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 29.6 t -161.23 133.09 5.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -148.53 -71.53 0.21 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -151.22 -55.82 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.1 179.25 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 52.92 83.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.6 pp -175.18 -41.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -30.38 71.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.765 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.52 -26.62 5.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.1 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -69.76 -68.74 0.39 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 94.5 m -48.2 -44.34 32.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 37.8 mm -63.04 -51.99 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -56.1 -31.68 63.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.53 -55.31 8.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 26.6 pt -62.35 -35.68 70.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.77 -52.82 32.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -58.49 -46.12 87.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 4.8 t -60.31 -51.66 68.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.809 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.2 tp -52.79 -57.0 11.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -51.76 -52.09 51.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -57.09 -38.95 74.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -68.89 -30.29 68.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 4.6 mt -72.46 -47.51 48.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -63.5 -45.19 91.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 21.1 m -67.38 -36.49 76.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 18.8 m -71.81 -35.05 69.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -71.76 -42.49 67.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -74.38 -32.59 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.82 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 27.2 t -71.56 -52.1 19.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.8 t -63.92 -25.04 67.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -79.09 85.57 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.761 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.49 -20.06 10.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.238 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.727 0.298 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -106.59 56.65 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.9 p -108.46 140.73 25.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -111.1 134.5 52.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 55.54 -178.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.84 -41.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.409 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.4 t0 53.13 79.48 0.12 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -150.49 162.94 39.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.5 t -120.17 -42.29 2.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.168 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 58.94 -179.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -167.23 29.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 p 53.07 -174.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.66 159.65 33.48 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.562 0.696 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -170.97 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.661 2.24 . . . . 0.0 112.294 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -111.36 34.58 4.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -116.1 73.96 5.25 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.584 0.707 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 79.43 0.97 Allowed 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.709 2.273 . . . . 0.0 112.301 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.0 t -81.65 -8.27 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 63.77 25.4 14.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 t -87.54 161.53 17.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.239 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -51.46 -46.85 63.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.225 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 t -51.66 -51.45 55.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.793 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -60.44 -39.06 86.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.66 -54.37 34.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.65 -52.02 53.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.536 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.71 -38.92 94.56 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.546 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.83 -37.77 85.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.3 mm -65.24 -51.57 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 t -61.93 -38.83 89.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.183 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -63.08 -55.49 24.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.7 p -61.22 -31.92 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -65.31 -48.2 73.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.7 t90 -65.07 -42.02 94.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -60.78 -48.53 81.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 40.8 mt -60.83 -50.16 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.3 t -53.31 -58.75 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.18 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.01 -45.04 71.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.3 ttp -61.42 -31.98 71.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.79 -50.34 30.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -68.54 -28.9 67.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -55.09 -39.84 69.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.3 mt -54.53 -32.37 58.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 67.6 m -96.43 40.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 54.85 28.05 9.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.81 40.83 51.61 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.543 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -99.37 111.24 23.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 110.828 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.75 -28.66 69.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.799 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -26.56 64.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.75 -31.37 72.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.3 mmm -61.55 -31.52 71.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -122.69 29.57 6.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -86.02 -69.81 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.78 27.88 5.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -81.07 -26.09 36.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.86 -65.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.04 -40.1 92.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.07 -33.15 68.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -53.57 -28.44 31.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.822 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -111.42 29.86 7.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -142.93 26.81 1.68 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.03 135.68 53.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.999 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.97 25.82 2.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.8 mp -82.9 160.67 60.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.497 0.665 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 121.34 8.04 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.66 2.24 . . . . 0.0 112.376 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -148.01 161.08 42.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.2 mt -80.63 115.26 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.023 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -94.74 -68.57 0.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -117.88 170.95 8.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -71.66 178.96 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -100.65 -62.71 1.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.96 83.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.551 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 6.1 p -170.92 70.9 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.768 0.318 . . . . 0.0 110.827 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -162.63 98.82 1.0 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.11 -75.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 p -151.19 82.64 1.32 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -108.25 36.08 4.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 55.66 34.24 22.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.842 0.353 . . . . 0.0 110.901 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -167.95 151.69 6.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -115.28 -27.55 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -112.72 -172.93 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.1 mp 62.69 103.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 6.4 t -157.67 57.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.93 -172.26 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.814 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -112.53 -74.0 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.79 -170.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.5 mt 71.01 -69.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.205 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.87 -49.93 58.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 t -54.66 -52.25 62.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.71 -48.87 84.07 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.434 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 16.7 mt -52.35 -50.05 63.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.01 -49.09 79.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.06 -53.14 59.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.811 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -56.9 -47.41 80.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -54.53 -48.46 71.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -37.35 86.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -62.1 -64.41 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.1 pp -54.65 -39.88 68.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.985 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.39 -36.31 82.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -66.54 -52.02 50.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.974 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.0 ptm -71.03 -25.92 62.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.881 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -51.68 -45.2 63.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.82 -37.32 78.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -106.82 78.67 1.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.9 mt -149.05 178.04 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -82.34 -175.87 5.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -51.3 69.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.64 -51.41 56.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -55.69 -36.31 67.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.826 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -68.0 -53.01 29.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.07 -47.2 65.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -71.63 -37.35 70.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.74 -46.78 74.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -55.71 -43.01 76.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.7 t -67.61 -34.41 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.056 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.14 -50.92 59.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -62.29 -43.15 99.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -60.91 -51.66 68.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.812 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -56.36 -47.04 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 8.9 m -57.68 -51.02 71.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -57.42 -37.22 72.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 96.2 m -66.45 -55.73 14.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.183 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.28 -30.63 69.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 51.5 mt -71.54 -44.94 70.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.072 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -40.8 96.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 24.1 mt -67.62 -50.67 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.086 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -63.99 -46.82 82.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.815 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -61.73 -40.6 95.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -62.82 -53.94 46.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -52.02 65.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.81 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 92.7 t -60.37 -47.77 91.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.102 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -53.0 -45.28 67.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -70.02 -34.64 73.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 10.1 tp -66.41 -52.79 42.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -137.2 -75.23 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.31 -169.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -175.0 146.29 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 7.5 m -130.2 113.09 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -175.81 87.17 0.29 Allowed Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.637 0.732 . . . . 0.0 110.959 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -48.78 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.365 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 178.82 147.6 0.39 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.547 0.689 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 168.63 21.04 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.729 2.286 . . . . 0.0 112.348 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 4.8 pt -119.76 -30.2 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.233 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.73 -40.63 60.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.767 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -50.76 -51.01 54.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.0 -49.31 71.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 11.2 mp -53.4 -56.06 19.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.61 -63.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 59.4 p -51.58 -32.72 29.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.263 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.79 -36.21 77.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -54.29 -41.2 68.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 6.6 mt -55.66 173.15 0.14 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 63.26 69.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.1 t -154.31 179.96 8.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -110.27 31.94 5.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -150.38 116.6 5.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.95 160.63 15.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -147.65 175.8 10.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.6 104.51 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -81.52 -39.11 25.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.12 -27.08 12.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.074 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -69.43 -69.84 0.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 90.4 m -48.94 -44.08 40.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.4 -46.25 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.189 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -60.75 -33.91 73.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -69.59 -55.41 10.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 20.1 pt -60.78 -36.02 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 18.4 mt -67.14 -51.99 47.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.56 -48.95 76.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -42.34 99.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.791 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.5 tp -56.16 -55.37 33.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.17 -55.04 40.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -52.83 -42.39 65.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -60.66 -50.75 72.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 35.3 mt -54.7 -48.57 72.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -59.98 -52.28 66.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 96.0 t -57.21 -43.55 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 35.4 m -59.72 -48.15 82.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.155 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -58.73 -56.01 27.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -61.78 -26.49 68.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 28.8 t -73.63 -48.58 31.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.3 t -69.15 -25.17 64.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.14 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -75.92 -73.19 0.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -179.55 -34.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 -179.911 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.794 0.33 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -93.15 71.7 4.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.8 p -59.45 137.55 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -60.94 112.96 2.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -96.12 175.84 6.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.4 30.73 6.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.74 169.45 19.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.839 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -127.61 -175.31 3.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.114 0.483 . . . . 0.0 110.793 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.6 t -119.21 -32.77 4.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -151.39 -174.23 4.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.91 26.26 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 p -105.1 101.68 11.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.1 159.69 70.02 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.584 0.707 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -178.75 2.53 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -116.86 24.67 11.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -129.55 154.93 80.91 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.509 0.671 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 111.72 2.88 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.64 2.227 . . . . 0.0 112.35 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -96.94 -21.56 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 63.51 22.49 13.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.3 t -95.5 164.78 12.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 p -49.94 -46.9 52.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.171 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.1 m -55.27 -51.35 66.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.805 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -60.52 -37.04 79.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.7 t -63.46 -54.48 32.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.101 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.82 -52.25 53.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.57 -42.08 95.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.443 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.53 -47.36 81.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.322 . . . . 0.0 110.981 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.3 mm -56.99 -43.38 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.9 p -64.45 -44.75 90.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -58.18 -55.5 34.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.773 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.77 -36.32 70.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.13 -48.28 82.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -66.22 -42.87 88.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -60.1 -43.66 95.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.5 mt -64.29 -49.57 80.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.4 t -54.0 -54.59 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -59.12 -44.25 91.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.9 ttt -62.74 -31.61 72.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -71.26 -51.25 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -69.35 -28.41 66.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -58.97 -32.63 69.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.9 mt -55.85 -33.94 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 30.9 m -97.11 37.02 1.36 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.816 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 63.19 26.67 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.28 36.18 92.46 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -91.28 111.87 23.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.88 0.371 . . . . 0.0 110.805 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.19 -30.68 28.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.964 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.71 -43.43 80.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -57.19 -26.05 60.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.4 mtp -69.68 -51.75 31.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -111.32 43.15 1.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.82 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.03 -49.09 6.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.5 26.9 4.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -74.85 -27.44 60.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.34 -26.08 51.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.59 -38.18 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.91 -38.49 75.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -53.92 -32.9 55.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -115.91 33.53 5.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -143.53 26.24 1.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.04 134.65 37.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.49 -26.59 30.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.73 160.63 59.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.694 0.759 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 126.35 13.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.721 2.281 . . . . 0.0 112.334 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -135.49 134.57 39.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.4 mt -77.54 139.72 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -96.2 37.25 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.4 85.7 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -69.96 164.47 23.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -97.5 -28.14 14.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 174.4 91.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.601 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 19.7 m -135.42 80.43 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.379 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -165.21 -68.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -149.58 35.63 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -168.67 176.34 5.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.148 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 142.2 162.5 9.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.552 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -128.34 78.82 1.86 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.923 0.392 . . . . 0.0 110.991 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.7 t30 58.84 46.55 13.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.829 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -105.76 -71.4 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 53.85 -170.32 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 34.0 mt 62.65 81.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 20.4 m -133.49 -56.03 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 69.13 -74.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.4 tp 52.51 -170.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -141.72 -72.09 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.3 mt 70.97 -69.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -50.02 74.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.798 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -52.81 62.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.792 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.17 -47.37 90.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.527 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 mp -54.62 -47.93 72.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.877 0.37 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -49.53 76.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -49.08 78.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -56.49 -51.26 69.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -54.48 -45.18 73.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.49 -38.46 89.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -65.45 -64.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.9 pp -51.0 -39.99 57.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -67.44 -38.07 83.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -63.45 -46.69 85.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.7 ptm -75.12 -31.2 61.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -27.5 67.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -59.75 -33.02 71.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -136.07 95.48 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.9 mt -145.37 178.08 8.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.88 -176.03 3.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.53 -51.3 66.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -68.17 -50.04 56.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -55.79 -33.77 64.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.9 -48.91 51.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.986 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -55.55 -46.37 77.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.6 mmpp? -71.25 -41.71 69.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.88 -42.03 71.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -41.37 73.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 98.0 t -72.27 -36.81 56.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.206 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -51.28 57.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -44.22 91.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -58.39 -52.83 63.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -57.45 -47.94 80.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 29.6 m -54.18 -48.17 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -63.0 -35.31 79.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.7 m -65.43 -56.36 12.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.065 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.18 -34.02 74.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 53.6 mt -69.99 -37.78 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.171 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -71.36 -37.37 71.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.4 mt -68.84 -49.72 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.072 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -65.64 -46.2 80.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -62.38 -41.5 98.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -63.17 -52.9 60.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.95 -52.23 66.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.812 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 88.5 t -59.71 -50.38 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -52.4 -44.88 65.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.09 -32.58 70.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.29 -42.09 72.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -144.79 -75.58 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.65 -178.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.0 tp -177.3 139.13 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.4 m -152.68 169.47 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.208 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.2 tt -173.64 135.62 0.66 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.632 0.73 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.456 ' HG2' ' H ' ' A' ' 146' ' ' THR . 54.5 Cg_endo -69.71 -84.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.741 2.294 . . . . 0.0 112.341 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.456 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -176.94 159.27 1.48 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.576 0.703 . . . . 0.0 111.179 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 166.5 27.39 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.701 2.268 . . . . 0.0 112.311 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.6 tt -129.55 -38.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.09 -23.32 54.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.778 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -51.07 -47.79 61.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.02 -35.82 75.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 42.4 mt -65.63 -57.54 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.33 -52.57 61.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 67.8 p -58.9 -39.92 82.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.24 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -64.3 -45.55 87.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -89.79 -170.5 2.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.3 mp 63.15 167.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -139.04 173.22 11.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.6 p -65.71 -38.12 88.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -111.51 113.46 25.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -172.7 138.2 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.966 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -116.85 -44.16 2.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 30.8 p90 -97.03 178.87 5.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 71.33 -69.99 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.837 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -52.27 -30.78 29.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 3.8 m -50.69 -26.43 5.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -69.71 -68.87 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.5 m -48.46 -45.76 37.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.8 mm -61.88 -49.97 82.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -62.04 -29.43 70.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -55.26 10.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 21.1 pt -60.94 -35.92 68.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.78 -51.88 50.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -57.3 -48.47 78.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.91 -41.85 96.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 7.8 tp -58.95 -58.15 9.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.92 -52.13 58.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -57.81 -46.41 84.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.95 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -62.57 -31.15 71.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.929 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 37.0 mt -69.8 -56.65 6.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.69 -42.17 78.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.961 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 82.1 t -63.92 -52.83 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.006 0.432 . . . . 0.0 111.198 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 83.6 m -53.26 -46.9 69.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.175 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -61.44 -52.35 64.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -59.41 -31.73 69.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 35.4 t -70.1 -50.29 42.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.0 t -67.88 -24.69 65.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.103 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -54.95 -59.06 5.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -179.6 -34.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 21.0 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 -179.924 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.5 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.904 0.383 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -140.75 73.46 1.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.4 p -70.78 150.54 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.8 mmt85 -124.83 154.75 40.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -75.7 -179.59 4.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.24 49.64 1.21 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.441 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -125.03 132.34 53.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.87 0.367 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -128.97 -175.62 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 t -120.24 -39.2 2.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -148.12 156.59 42.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -177.55 77.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.9 p -77.7 100.53 6.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.174 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.91 159.88 60.49 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.541 0.686 . . . . 0.0 111.169 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -170.83 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.682 2.254 . . . . 0.0 112.314 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.25 -50.34 3.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 50.67 77.22 0.47 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.619 0.723 . . . . 0.0 110.933 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 86.89 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.609 2.206 . . . . 0.0 112.337 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.76 -15.48 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.209 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 57.2 33.86 23.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.71 166.99 10.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.2 p -51.5 -46.2 63.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.199 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.9 m -56.81 -51.51 68.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -61.66 -39.29 90.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.9 t -62.01 -54.21 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.99 -51.77 56.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.8 -41.72 94.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.15 -50.89 66.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.343 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.9 mm -53.95 -44.02 60.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.1 p -64.7 -45.29 87.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -62.61 -55.26 28.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.779 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.6 p -59.24 -33.89 52.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.7 mt -64.77 -48.48 74.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.977 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -63.4 -41.03 98.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -62.4 -46.07 90.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.4 mt -60.83 -48.0 90.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.16 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.4 t -57.32 -52.76 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.118 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -57.76 -44.13 85.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.7 ttp -66.57 -31.8 72.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.831 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.58 -51.27 17.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.54 -28.66 66.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -54.62 -41.2 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.816 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.0 mp -53.94 -28.2 35.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.4 m -96.48 32.02 2.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t30 61.49 26.7 16.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.03 42.18 94.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.447 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -99.78 107.38 19.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.338 . . . . 0.0 110.83 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.0 m -52.94 -30.57 35.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -43.45 98.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.828 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -54.1 -33.75 58.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.5 mtp -56.93 -32.09 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -121.54 26.54 8.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -93.11 -57.25 2.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -98.92 26.61 5.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -103.17 27.76 6.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.47 -32.76 6.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.24 -37.3 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.01 -40.97 70.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -55.69 -26.24 43.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -107.09 26.3 10.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -150.55 25.16 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mt -97.77 -50.79 4.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.68 21.92 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.978 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mp -83.97 160.64 57.52 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.556 0.693 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.84 78.72 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.742 2.294 . . . . 0.0 112.245 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.92 153.24 30.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.2 mt -70.34 125.77 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -119.43 -41.42 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -153.6 74.92 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -172.61 120.88 0.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -151.39 28.67 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.44 89.19 2.08 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 15.9 p -116.8 128.81 55.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.363 . . . . 0.0 110.937 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -165.74 -44.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.39 143.27 32.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.9 t -172.87 -37.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 164.12 -99.88 0.17 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.5 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -133.25 43.1 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 110.869 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -161.84 98.91 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -79.5 152.48 30.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.2 pt-20 -137.44 177.79 7.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 15.8 tt -117.11 141.02 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 16.9 m -109.54 156.84 19.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.1 mp -97.23 33.69 1.92 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.85 115.38 10.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -106.43 -74.28 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.4 mt 70.98 -69.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.237 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.9 m -51.14 -48.06 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 m -61.33 -52.29 65.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.37 -51.06 59.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -55.44 -49.41 72.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -55.39 -49.35 72.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -55.28 34.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -57.12 -42.93 81.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -55.71 -48.96 74.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.9 -39.94 95.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.789 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -61.6 -64.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.7 pp -54.17 -37.46 64.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.66 -40.5 96.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -66.68 -52.3 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.9 ptm -65.94 -25.99 67.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -27.73 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.38 -37.96 82.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -127.67 97.73 4.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.9 mt -145.45 178.02 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -77.23 -175.92 3.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.84 -51.25 67.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -72.22 -47.74 48.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -55.59 -34.59 64.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.921 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.65 -45.2 75.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -46.03 92.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.813 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -71.66 -32.6 68.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.08 -39.06 86.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -62.36 -50.42 71.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.25 -35.55 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.165 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.9 mp -62.61 -50.27 71.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.996 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -48.7 78.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.943 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -53.71 -52.89 58.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.72 -52.86 63.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.824 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 12.8 m -51.76 -40.63 60.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -68.27 -37.34 80.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.0 m -63.66 -56.75 13.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.164 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -44.78 93.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 62.4 mt -59.8 -39.73 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -66.44 -45.54 79.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 6.0 mt -65.05 -46.61 90.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -65.75 -48.08 73.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -58.46 -43.46 88.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -64.45 -47.07 80.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -57.12 -52.0 67.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.15 -27.76 38.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -69.02 -39.26 79.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -77.54 -45.83 24.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.815 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 23.8 tp -68.04 -58.05 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.68 -169.84 1.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -121.73 129.53 52.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.6 tp -177.39 135.77 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.1 m -152.93 172.48 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.1 pp -150.44 154.73 36.09 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 0.0 110.79 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.426 ' HG2' ' H ' ' A' ' 146' ' ' THR . 53.0 Cg_endo -69.91 -86.7 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.271 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.426 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -176.25 159.27 1.76 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.589 0.709 . . . . 0.0 111.095 -179.847 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.94 61.66 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.598 2.199 . . . . 0.0 112.397 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 1.1 tt -116.81 -25.03 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 20.1 m -52.0 -30.23 24.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -51.49 -50.96 58.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -52.03 -46.49 65.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.12 -49.39 77.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.72 -61.61 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.85 -39.83 65.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -56.28 -34.73 66.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -102.41 107.11 17.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 6.3 tp -136.67 131.23 33.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 52.47 77.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.37 -61.0 1.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.824 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.6 138.14 20.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 56.88 -177.57 0.05 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -119.87 33.07 5.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -138.34 35.27 2.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.6 tp -104.9 -49.52 3.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -37.08 57.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.22 -26.87 12.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -69.44 -69.89 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 34.7 m -49.03 -44.46 41.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.3 -48.71 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -61.85 -29.01 69.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.45 -55.48 7.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 17.9 pt -59.15 -37.17 66.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.88 -51.1 52.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -59.56 -51.92 67.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 47.2 p -58.98 -44.66 91.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.824 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.0 tp -56.24 -58.06 9.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -52.88 -54.34 36.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.96 -49.99 64.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -60.92 -30.96 70.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.2 tp -67.58 -59.11 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -55.89 -43.87 77.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.03 -46.21 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 88.2 m -64.84 -31.31 72.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -70.7 -47.96 57.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -74.48 -24.4 59.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.0 m -77.4 -52.11 9.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.6 t -63.32 -24.02 67.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.061 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -75.87 -28.25 58.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 41.4 84.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 8.3 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 -179.897 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -158.83 121.16 3.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 p -72.04 145.36 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.185 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.18 144.48 43.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -91.27 168.16 11.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.05 53.66 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.34 171.55 7.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 0.0 110.771 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.66 -172.78 2.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 t -119.77 -33.45 4.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 62.15 176.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -170.8 41.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.9 p -132.84 120.7 21.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -139.36 159.62 65.23 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.497 0.665 . . . . 0.0 111.229 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.75 -179.07 2.65 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.73 2.287 . . . . 0.0 112.431 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -69.44 -49.53 54.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -122.23 155.54 61.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.654 0.74 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 120.41 7.19 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.656 2.237 . . . . 0.0 112.341 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -91.55 -19.24 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 61.25 58.56 2.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 t -123.29 167.23 14.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.13 -44.5 52.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -51.72 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -41.19 97.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.3 t -61.25 -54.24 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.168 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.82 -51.87 54.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.8 -41.59 94.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.3 -46.28 87.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.1 mm -58.97 -41.83 84.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.3 p -65.1 -43.99 90.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.195 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -61.7 -55.17 33.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.9 p -59.31 -35.52 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.064 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 mt -62.51 -48.81 77.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -63.18 -42.16 99.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.85 -45.24 95.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.7 mt -61.54 -46.9 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.224 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.4 t -58.23 -46.26 88.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.038 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -43.76 83.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.2 ttt -65.22 -31.9 73.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.3 ttp85 -72.57 -51.18 20.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.837 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -28.76 66.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.5 -36.05 66.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.9 mp -59.3 -26.27 64.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.57 29.78 5.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.4 t30 61.61 36.4 16.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.69 48.18 83.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.452 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -98.79 107.33 19.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.859 0.362 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 98.1 p -57.77 -31.5 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.78 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -35.39 74.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.7 t -57.06 -26.61 60.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.4 mtp -62.17 -51.56 67.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.964 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -104.24 36.89 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -90.98 -52.54 4.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -105.98 35.58 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 55.6 p-10 -96.64 26.22 4.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.787 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.29 -29.68 10.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.059 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.81 -33.39 4.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.54 -29.87 70.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -62.08 -26.89 68.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -121.09 33.04 5.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.955 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -146.29 26.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.59 -50.59 4.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.52 24.84 9.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.4 mt -84.08 159.3 60.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.652 0.739 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 81.32 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.696 2.264 . . . . 0.0 112.318 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -111.88 160.82 17.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.2 mt -73.75 142.06 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.06 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -159.57 31.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.985 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -70.97 145.44 50.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -101.4 -170.35 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.05 106.55 5.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.69 151.71 6.08 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.6 t -165.49 -45.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.952 0.406 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -121.24 -39.6 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.07 -52.81 48.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.1 m 71.31 -69.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.01 -143.76 43.81 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -78.37 -30.93 48.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.882 0.372 . . . . 0.0 110.975 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -85.12 179.61 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -141.3 119.55 12.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -157.79 107.17 2.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.7 pt -78.14 164.2 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.6 m -93.33 -64.71 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.0 tp 63.27 26.01 14.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.9 mt -57.69 116.75 3.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -99.54 -66.95 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.5 mt 71.67 -66.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.14 -42.32 50.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.807 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 94.9 p -60.65 -50.68 72.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.04 -52.33 53.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.61 -33.74 75.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.886 0.374 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.4 tp -64.79 -49.43 70.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.06 -49.44 75.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.83 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -58.2 -43.49 87.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.964 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -60.63 -45.16 95.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 t -62.98 -39.7 95.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -64.36 -64.5 0.86 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.6 pp -51.77 -39.33 58.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.69 -43.4 96.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -62.38 -41.31 98.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 33.6 ttp -68.79 -37.99 79.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -52.33 -33.71 43.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.72 -37.48 79.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -121.21 89.88 3.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.0 mt -149.02 177.67 9.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -77.29 -175.91 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.99 -51.09 68.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -72.55 -46.88 52.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -55.77 -37.81 69.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.941 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -68.11 -48.38 65.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.66 -48.37 72.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -71.57 -38.34 70.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.78 -46.77 74.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -55.42 -43.63 75.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 64.1 t -67.14 -35.3 73.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.2 -51.04 63.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -63.38 -42.74 98.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 21.7 ttp85 -58.99 -53.61 56.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -56.99 -49.26 76.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 12.2 m -56.63 -46.22 81.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.11 -33.67 74.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.8 m -67.62 -56.41 9.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 pp -60.31 -33.68 72.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.966 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 65.2 mt -69.77 -44.2 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -63.64 -41.03 98.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 9.1 mt -66.16 -52.92 42.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -62.53 -49.5 75.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -58.63 -40.58 83.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -62.3 -53.21 58.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.92 -49.55 77.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 96.9 t -61.26 -35.35 65.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.08 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -69.07 -40.19 78.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -69.91 -35.56 74.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.8 tp -77.81 -58.06 3.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.57 -169.74 2.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.805 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -89.53 -170.48 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -175.78 144.09 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.145 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 14.1 t -119.05 153.12 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.4 138.8 21.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.632 0.73 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.9 -42.35 3.33 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.687 2.258 . . . . 0.0 112.271 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.7 m 65.08 67.47 0.8 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.633 0.73 . . . . 0.0 111.166 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 155.89 64.96 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.699 2.266 . . . . 0.0 112.384 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.6 tt -117.76 -15.72 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.177 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.7 m -51.82 -30.58 23.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.803 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -51.38 -43.33 61.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -62.59 -35.3 79.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.38 -53.13 25.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.3 mp -57.13 -50.65 72.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 60.8 p -62.2 -41.05 97.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -56.72 -40.87 76.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.0 163.13 2.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.97 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.9 mp -105.1 -176.75 3.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -123.08 155.44 36.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 50.3 m 58.7 -176.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 59.81 28.3 17.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.978 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.48 172.36 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -163.79 168.57 19.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 33.0 m95 52.32 57.57 6.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.4 -53.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -43.9 79.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -26.63 9.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -69.68 -69.75 0.33 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 92.2 m -48.8 -45.9 40.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.73 -51.18 76.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -61.43 -27.77 68.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.97 -55.37 8.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 21.0 pt -60.89 -36.17 69.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.83 -52.53 35.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -57.88 -52.14 66.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -44.55 92.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 12.1 tp -56.86 -52.62 64.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.41 -57.08 13.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -53.46 -50.06 66.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.5 -30.84 69.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.779 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.5 mt -68.09 -60.54 2.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.9 ptpm? -53.79 -42.64 68.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 96.3 t -63.09 -48.91 85.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 97.1 m -60.46 -32.32 71.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -70.44 -55.98 7.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -19.81 65.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.801 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 5.6 m -79.83 -48.55 13.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.5 t -69.56 -24.9 63.77 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.215 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -70.82 -36.81 73.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 64.29 106.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.151 -179.858 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.868 0.366 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 60.83 84.99 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.1 t -92.91 131.21 40.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.57 110.15 22.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.1 mtm180 -67.37 167.02 13.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.31 41.18 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.444 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -61.99 112.17 2.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.931 0.396 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.13 170.15 9.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.7 t -116.36 -29.37 6.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.195 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -53.91 157.57 2.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -156.34 73.87 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 t -77.89 164.44 25.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.02 159.64 47.97 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.495 0.664 . . . . 0.0 111.164 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 177.38 5.65 Favored 'Trans proline' 0 C--N 1.34 0.107 0 C-N-CA 122.637 2.225 . . . . 0.0 112.328 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -153.43 47.84 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 61.61 161.0 0.11 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.832 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 81.01 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.626 2.217 . . . . 0.0 112.367 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.2 t -88.21 -18.34 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 63.77 41.97 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.1 t -109.76 156.97 19.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -52.42 -49.96 63.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.75 -51.64 54.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 -179.877 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.01 -41.4 96.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.3 t -61.41 -54.39 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.07 -52.08 51.52 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.59 -43.15 94.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.551 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.31 -49.3 74.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.737 0.303 . . . . 0.0 110.834 -179.889 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.1 mm -54.12 -44.45 63.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.167 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.1 p -64.93 -44.2 90.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.172 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -59.0 -55.19 38.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.4 p -60.06 -35.34 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -60.71 -48.53 81.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.6 t90 -65.42 -42.82 92.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -60.88 -47.73 85.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mt -60.14 -49.66 83.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.0 t -54.62 -58.72 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.059 179.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -54.98 -45.87 75.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.8 ttp -60.55 -31.72 70.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -71.92 -51.21 23.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -67.89 -28.79 67.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -54.97 -40.07 69.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.79 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.1 mt -54.52 -28.49 45.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 71.0 m -97.83 32.86 2.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t30 62.75 26.81 15.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.81 37.22 61.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.443 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -98.5 103.89 15.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.0 p -55.61 -34.77 65.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -28.39 67.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.1 t -63.04 -29.21 70.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.8 mtp -69.09 -46.03 68.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -100.35 26.26 6.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -76.47 -54.42 6.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.02 26.21 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.814 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.53 -26.51 58.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.81 -32.16 30.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.74 -33.56 8.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.92 -42.82 69.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.054 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -55.28 -26.46 40.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -108.53 26.29 10.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -131.54 25.42 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.39 129.44 55.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.85 22.06 16.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 mt -83.98 154.73 64.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.633 0.73 . . . . 0.0 110.931 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 119.55 6.48 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.75 2.3 . . . . 0.0 112.333 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -145.96 160.99 41.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.0 mp -84.98 110.9 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.087 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -140.4 126.73 19.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 52.06 64.05 2.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -106.37 117.74 34.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -88.59 -27.51 21.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.93 129.57 5.56 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.523 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 94.0 m -59.88 98.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.964 0.411 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -107.52 139.47 42.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.43 172.19 13.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.3 p -140.77 -45.44 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 133.11 -80.44 0.33 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.448 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.4 -178.35 4.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.932 0.396 . . . . 0.0 110.941 -179.736 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 t30 59.36 178.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -98.13 -174.25 2.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.801 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -167.05 -179.56 4.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -143.41 174.64 4.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.235 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.31 -36.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 59.7 -179.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.4 mt -111.43 166.65 10.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.3 pttm -168.97 -177.52 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.2 mt 70.81 -69.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.05 -50.02 59.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.5 m -54.51 -52.23 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.59 -45.04 97.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.74 -45.49 81.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.848 0.356 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.1 -49.17 75.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -56.56 -56.54 20.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -54.2 -47.19 72.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -54.2 -48.55 70.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -37.5 86.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.775 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -62.62 -64.52 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 pp -54.8 -36.97 65.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -66.8 -36.91 83.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -68.28 -52.05 38.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.99 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.5 ptm -67.81 -30.83 70.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.86 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -38.4 64.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.93 -37.42 79.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.97 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -115.84 89.25 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.6 mt -149.14 177.92 9.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.37 -175.94 5.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.22 -51.19 68.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.91 -47.69 61.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -55.73 -36.48 67.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -53.0 26.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.896 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -52.02 -46.71 65.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -72.38 -36.89 68.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.07 -47.13 75.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.026 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -55.79 -41.04 73.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 84.5 t -70.85 -32.77 49.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.86 -52.12 33.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -34.42 78.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.993 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 34.1 mtp85 -66.04 -52.24 50.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -60.1 -45.05 94.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 24.7 m -57.81 -51.11 70.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.62 -39.27 80.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.0 m -63.86 -56.1 17.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.66 -31.01 70.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 51.6 mt -70.44 -40.32 77.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.6 -38.18 73.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 39.1 mt -67.55 -51.03 55.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.17 -47.84 78.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -60.17 -41.79 93.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -63.46 -47.82 80.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.13 -52.11 66.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.8 m -66.69 -28.34 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.2 -40.3 78.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -75.58 -42.49 51.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.34 -58.01 4.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.15 -169.62 1.96 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.855 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.09 173.4 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.5 tp -176.33 143.87 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 21.7 t -144.89 150.09 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.06 179.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.97 137.48 12.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.428 ' HG2' ' H ' ' A' ' 146' ' ' THR . 54.2 Cg_endo -69.74 -86.8 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.731 2.287 . . . . 0.0 112.331 179.903 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.428 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 0.1 OUTLIER 178.42 147.45 0.36 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.63 0.728 . . . . 0.0 111.144 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 127.2 14.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.739 2.292 . . . . 0.0 112.254 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 2.2 tt -116.91 -25.19 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.7 m -52.12 -44.8 64.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -51.05 -46.49 61.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -57.37 -53.28 59.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.9 mp -51.99 -54.89 24.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.59 -63.68 1.06 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 52.5 p -51.18 -33.06 25.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -72.4 -35.83 68.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.936 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -71.84 -70.63 0.32 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.2 mp -100.15 168.46 9.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -158.61 -47.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.47 -170.14 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 63.19 169.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -118.65 -56.42 2.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 60.35 177.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 23.5 p-90 -121.13 26.7 8.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.24 -28.44 7.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -59.08 -27.55 65.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.69 -26.61 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -69.4 -68.97 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.8 m -48.6 -45.15 37.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.9 mm -62.83 -45.3 99.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -63.61 -30.84 71.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.07 -55.29 8.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 13.4 pt -59.02 -39.55 78.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.75 -46.61 71.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -52.06 66.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.778 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.3 t -61.4 -43.7 98.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 18.5 tp -53.98 -55.53 26.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -58.06 -54.11 50.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -52.86 -41.79 64.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -62.31 -48.61 79.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 72.1 mt -56.32 -45.42 80.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.19 -51.1 70.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 179.803 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 58.6 t -58.58 -44.81 90.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 36.2 m -60.66 -43.35 97.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -61.64 -54.38 43.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -64.6 -25.97 68.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 11.0 t -71.93 -48.74 43.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 8.9 t -68.04 -24.87 65.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -82.53 -26.81 32.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.976 179.907 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 63.3 16.68 9.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.849 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.798 0.332 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -122.74 97.86 5.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.8 t -86.07 138.83 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.077 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.62 109.92 19.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -67.33 174.03 3.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.98 -19.68 1.41 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.508 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.28 163.16 20.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -117.02 -176.19 2.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.997 0.427 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.5 t -111.29 -29.27 7.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.097 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.96 152.1 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -171.18 54.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 t -135.74 148.38 48.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.76 159.68 67.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.531 0.681 . . . . 0.0 111.135 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -170.75 0.41 Allowed 'Trans proline' 0 N--CA 1.466 -0.108 0 C-N-CA 122.76 2.307 . . . . 0.0 112.291 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -94.22 39.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 mtt85 -118.88 73.88 12.45 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.582 0.706 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 85.98 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.721 2.28 . . . . 0.0 112.322 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -67.33 -13.47 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 63.55 28.77 15.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -98.58 170.96 8.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -51.75 -43.84 63.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.099 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -51.47 66.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -39.64 91.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.9 t -63.73 -54.11 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.2 -51.81 53.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.448 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.39 -37.43 94.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.569 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.48 -47.37 76.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.5 mt -62.14 -41.07 89.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 179.856 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.5 p -64.61 -44.47 90.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.05 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -62.04 -55.17 31.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 p -59.73 -34.36 55.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.2 mt -64.26 -48.13 76.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -63.92 -40.79 97.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -62.67 -45.81 91.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.982 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.8 mt -61.8 -46.95 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.3 t -59.14 -46.4 92.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.15 -43.4 82.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -32.22 73.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -72.86 -51.18 19.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.773 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -28.73 66.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.996 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -59.62 -34.66 73.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.7 mt -54.06 -32.2 53.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.4 36.2 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 58.59 26.26 14.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.59 41.53 93.99 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -91.0 107.64 19.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.1 p -56.3 -26.68 53.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.946 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.14 -26.33 61.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.842 179.898 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -66.52 -26.77 67.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.6 mtp -64.76 -41.22 96.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -111.19 27.08 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -79.35 -64.74 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.815 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.0 23.38 13.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.57 26.98 4.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.54 -31.49 12.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.1 -26.59 7.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.6 -33.1 72.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.1 179.785 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -52.16 -30.53 27.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -116.28 30.15 7.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -143.26 30.13 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.792 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.23 -50.7 3.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 56.47 24.78 8.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.845 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.4 mt -81.72 159.25 66.81 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.633 0.73 . . . . 0.0 110.967 179.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 97.62 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.685 2.257 . . . . 0.0 112.286 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -146.49 147.33 31.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 mp -53.04 117.29 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -114.44 -64.1 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.29 105.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -131.43 86.28 2.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -150.99 166.32 31.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -90.52 92.86 1.8 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.3 m -55.41 -64.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.368 . . . . 0.0 110.896 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -52.71 115.67 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 171.61 -48.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.1 m 54.66 81.17 0.11 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.19 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.41 70.18 0.5 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.514 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 52.65 55.61 8.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.922 0.392 . . . . 0.0 110.959 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.63 165.14 37.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -144.76 101.52 3.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -130.62 172.78 11.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 60.5 mt -137.9 116.08 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 -179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 98.7 m -82.72 101.94 11.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.47 123.19 33.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.7 mt -131.77 149.73 52.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.953 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -98.5 -74.7 0.58 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.1 mt 70.91 -69.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 t -51.52 -50.2 60.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.9 t -56.19 -52.33 64.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.46 -45.91 94.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 20.8 mt -55.47 -50.33 70.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 -179.836 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -49.01 79.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.866 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -51.69 64.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -57.95 -46.44 85.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.91 -179.81 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -54.63 -47.38 73.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 p -64.34 -39.08 93.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -60.59 -64.04 1.09 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 pp -54.86 -40.76 70.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.23 -34.05 77.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -70.39 -52.06 25.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.986 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 8.4 ptm -68.76 -26.0 65.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.916 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -65.1 -30.37 71.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -59.94 -40.65 89.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -120.55 93.64 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.1 mt -147.63 178.03 8.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -78.64 -176.04 4.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -63.15 -51.17 67.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -71.22 -47.58 56.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm -55.72 -37.86 68.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -69.98 -49.5 50.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.815 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.45 -48.06 66.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.913 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -72.28 -37.47 69.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.86 -45.13 74.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.846 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -55.67 -49.7 72.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.1 t -60.81 -40.29 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.139 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.49 -49.57 76.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.0 tm0? -58.8 -51.31 70.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -53.8 -53.33 53.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -54.2 -45.97 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.5 m -56.52 -51.08 69.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -63.07 -28.46 70.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 96.8 m -69.61 -56.5 7.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.109 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 pp -62.72 -34.93 78.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 80.0 mt -69.99 -42.15 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -65.42 -42.23 92.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 43.1 mt -65.98 -50.62 68.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -63.61 -49.62 72.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -59.41 -39.41 83.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -64.23 -49.43 71.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -57.89 -52.14 66.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.3 m -65.13 -30.45 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -43.44 83.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.87 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -76.98 -30.12 55.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -54.91 29.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.878 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -136.69 -75.89 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.1 tttp 179.86 166.02 1.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.9 tp -177.79 130.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 5.5 m -153.16 151.4 11.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.175 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -152.97 154.61 31.29 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.424 ' HG2' ' H ' ' A' ' 146' ' ' THR . 53.8 Cg_endo -69.7 -87.19 0.0 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.206 0 C-N-CA 122.709 2.273 . . . . 0.0 112.389 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.424 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -179.13 159.12 0.96 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.669 0.747 . . . . 0.0 111.125 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 145.8 58.56 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.706 2.271 . . . . 0.0 112.323 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 4.1 pt -119.19 -28.47 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.22 -32.47 16.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -51.05 -40.55 58.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.23 77.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 14.9 mt -56.97 -50.24 73.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.35 -62.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 42.6 p -52.03 -32.92 36.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.036 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -45.51 76.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.838 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -52.09 157.33 1.35 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.6 mp -137.16 -174.98 3.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.015 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 57.57 92.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 28.6 t -143.49 69.31 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -108.19 -65.71 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -62.38 177.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.986 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.63 79.32 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -170.21 165.38 9.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 10.8 tp 72.51 -67.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -54.43 -28.42 43.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.75 -26.37 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -69.75 -68.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.6 m -48.58 -45.69 38.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.8 mm -61.77 -50.15 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.235 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -62.25 -27.97 69.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -55.34 8.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 18.9 pt -60.54 -37.08 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.4 -51.34 53.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -56.21 -50.65 70.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 23.0 p -59.91 -46.6 88.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.8 tp -53.38 -55.04 28.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.21 -55.06 37.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -53.08 -41.85 65.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -60.02 -51.65 68.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.3 mp -55.43 -49.84 71.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -55.3 -50.41 69.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 82.3 t -60.94 -49.36 85.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.053 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 95.6 m -51.45 -47.58 63.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 -179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 9.4 tp -68.51 -35.64 77.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.988 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -65.96 -29.73 70.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 47.6 t -82.48 -52.13 7.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.779 -179.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.8 t -61.4 -18.24 57.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 -179.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -75.03 169.55 17.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.41 -29.51 12.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 -179.978 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.896 0.379 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -109.44 80.13 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.7 p -116.92 148.8 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.73 143.72 46.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.4 mtt-85 -53.59 156.81 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.19 53.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -56.36 103.1 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.842 0.353 . . . . 0.0 110.831 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -53.1 164.98 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.7 t -92.41 -25.7 18.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.84 170.76 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -113.54 38.6 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.0 p -108.22 149.63 28.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.21 159.7 65.8 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.6 0.714 . . . . 0.0 111.156 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.88 -173.36 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.617 2.211 . . . . 0.0 112.359 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -84.22 -34.98 23.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.6 157.09 66.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.504 0.669 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 134.44 28.11 Favored 'Trans proline' 0 C--N 1.34 0.102 0 C-N-CA 122.74 2.293 . . . . 0.0 112.257 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.8 t -117.41 -15.36 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.155 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 63.68 54.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.7 t -114.77 159.77 20.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.0 p -51.21 -43.73 61.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.18 -51.75 66.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.813 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.32 -42.63 96.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.3 t -62.21 -54.26 36.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.82 -52.39 42.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.46 -38.68 96.17 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.507 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.5 tt -64.89 -42.81 94.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.767 0.317 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.4 -41.59 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.02 0.438 . . . . 0.0 111.165 179.834 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.3 p -63.86 -46.87 83.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.049 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -62.29 -55.21 30.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.31 -32.77 49.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.64 -48.44 72.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.1 t90 -63.36 -42.45 98.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.76 -49.14 77.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 37.2 mt -58.46 -46.36 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.7 t -58.62 -46.9 90.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -42.0 90.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.9 ttt -66.99 -32.04 73.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -51.03 22.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -28.93 65.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.93 -35.58 61.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.5 mp -57.02 -27.08 61.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.61 27.79 8.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.1 t30 63.21 37.95 10.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.11 42.29 54.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -99.0 112.29 24.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.68 -27.32 39.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.01 -26.39 67.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.826 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.78 -28.13 36.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.4 mmm -72.74 -29.2 63.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -118.24 28.42 8.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -89.93 -63.87 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.52 24.19 13.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.94 -25.83 43.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.06 -24.75 47.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 pp -102.48 -26.01 13.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.68 -30.78 23.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.155 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -27.29 37.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -112.75 25.59 11.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -147.18 24.68 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.83 -62.19 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.68 19.21 7.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.41 161.02 55.58 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.648 0.737 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.88 78.27 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.834 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -115.21 158.57 22.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.3 mt -70.71 114.19 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -120.94 88.51 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -179.3 178.83 0.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -72.36 -25.82 61.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 63.38 81.03 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 170.26 -58.85 0.19 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.441 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 69.28 -75.51 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.881 0.372 . . . . 0.0 110.923 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -136.71 171.5 14.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -82.56 178.66 8.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.75 -173.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.15 125.58 5.51 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.443 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -52.34 -74.04 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.923 0.392 . . . . 0.0 110.918 -179.821 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -173.24 52.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.828 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.16 -74.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 61.47 168.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.81 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -152.56 72.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.3 39.8 2.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.41 102.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 mt -155.86 162.85 40.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.984 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.81 -74.95 0.6 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.86 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.7 mt 70.97 -69.16 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.32 -50.21 59.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 -179.906 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -56.33 -52.65 63.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.86 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.3 -50.93 62.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.0 mp -51.86 -46.98 64.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.343 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -49.15 78.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.003 179.805 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -53.33 59.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -54.25 -50.17 67.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -54.29 -45.07 72.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 p -62.2 -39.73 93.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -63.46 -63.85 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.8 pp -51.77 -38.53 55.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -67.63 -37.27 82.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -66.39 -44.47 82.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 -179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.5 ttp -74.92 -30.96 61.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -60.64 -25.94 66.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -35.33 76.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -130.03 98.53 4.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.8 mt -148.9 173.78 12.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -68.03 -176.18 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -62.23 -51.16 68.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -75.96 -43.93 42.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.9 mmtm -55.86 -36.85 68.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -53.08 23.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -52.03 -45.95 64.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -72.52 -39.13 67.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.9 -44.0 73.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.069 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 25.9 ttt85 -55.84 -49.36 73.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 73.3 t -61.68 -43.19 96.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.64 -47.23 86.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.72 -50.84 71.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -53.09 57.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -54.26 44.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.7 m -54.42 -48.66 71.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.133 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -54.58 -45.88 73.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 57.4 m -61.25 -56.07 24.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.75 -51.74 59.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 56.5 mt -61.15 -33.77 57.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -48.07 75.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 44.3 mt -65.66 -46.7 88.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -63.72 -50.01 70.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -59.29 -40.11 85.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -63.56 -48.93 75.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -58.23 -52.14 66.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.5 p -65.38 -30.9 51.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -65.96 -43.81 86.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -79.33 -26.77 42.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.803 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 15.0 tp -67.88 -57.99 5.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -134.87 -75.87 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.86 -169.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -175.72 145.97 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.835 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 4.1 m -132.77 117.84 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.826 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.02 87.2 0.28 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.639 0.733 . . . . 0.0 110.93 179.914 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.68 -43.56 2.65 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.621 2.214 . . . . 0.0 112.381 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -175.59 159.28 2.02 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.594 0.711 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.61 -170.44 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.632 2.221 . . . . 0.0 112.384 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.6 tt -128.49 -38.33 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.82 -22.89 64.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -49.97 -44.59 50.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.33 -36.01 76.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.045 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 34.4 mt -67.76 -54.72 17.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.6 mp -54.56 -53.76 50.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.95 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 47.2 p -60.38 -41.36 93.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -52.05 -43.35 63.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -65.09 171.92 3.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.5 tp -176.17 148.74 0.81 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.57 152.62 41.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 179.874 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.4 t -174.97 -60.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.02 164.91 20.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.803 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.84 163.72 27.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 53.23 76.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.823 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -67.9 133.65 49.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 18.3 mt -104.33 30.9 4.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -24.85 46.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -48.79 -26.53 2.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -69.54 -68.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.3 m -48.39 -36.98 15.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.214 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 34.2 mm -67.42 -53.05 35.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.28 -25.04 67.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -72.76 -55.19 7.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.3 pt -63.46 -36.08 74.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.61 -52.39 38.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.812 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -57.06 -46.68 82.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 179.838 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.9 t -60.48 -47.52 85.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.5 tp -54.93 -56.33 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -53.39 -50.93 64.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 181' ' ' LYS . 0.1 OUTLIER -59.97 -33.94 72.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.956 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -73.12 -29.25 62.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 8.7 mt -74.48 -50.39 18.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -60.38 -45.19 94.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.847 179.863 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 33.4 m -66.87 -39.3 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 6.2 m -63.62 -43.7 96.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -71.43 -36.2 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 18.1 ttt85 -68.9 -40.66 79.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.04 -52.14 21.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.797 -179.74 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.1 t -58.46 -23.27 57.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.073 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -83.45 -28.89 28.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 63.3 16.64 9.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.975 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 -179.894 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.813 0.34 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.9 120.2 2.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.1 t -140.5 146.85 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.7 mtt-85 -142.03 78.16 1.61 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -142.03 170.58 15.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.819 -179.834 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.23 48.74 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.431 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -130.78 147.46 52.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.788 0.328 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -140.32 164.41 30.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.797 -179.848 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.6 t -116.82 -25.17 7.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.228 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -51.99 150.62 4.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.831 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -150.64 26.13 0.75 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.2 p -87.98 163.02 16.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.91 159.57 70.81 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.627 0.727 . . . . 0.0 111.176 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 177.15 5.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.323 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -143.61 48.56 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.8 mtt-85 61.64 160.79 0.11 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.568 0.699 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 109.5 2.31 Favored 'Trans proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.741 2.294 . . . . 0.0 112.365 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -97.11 -23.45 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 63.46 46.1 4.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.2 p -119.82 166.22 13.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.253 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.2 p -51.66 -41.26 61.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.17 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -61.38 -51.67 67.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -38.8 90.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.16 -54.18 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.27 -51.94 55.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.43 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.02 -40.91 94.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.47 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.33 -48.19 76.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.727 0.299 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.3 mm -57.19 -42.49 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.0 p -64.82 -45.57 85.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -62.0 -55.23 31.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.885 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.5 p -59.49 -34.05 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.0 mt -64.17 -48.53 75.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.2 t90 -63.46 -41.32 98.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.79 -45.86 92.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.2 mt -61.53 -46.33 96.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.0 t -59.57 -44.66 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.08 -41.91 76.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.7 ttt -66.82 -31.82 72.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -74.65 -50.24 18.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -28.87 66.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -54.04 -35.62 62.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.2 mt -56.1 -30.43 62.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.7 m -96.52 28.8 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 61.02 30.7 19.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.73 44.0 98.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.616 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -100.74 108.92 20.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.8 t -54.98 -27.73 46.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -35.58 81.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.35 -36.27 81.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.8 mtp -57.89 -45.24 86.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -103.14 25.89 8.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -86.01 -66.08 0.94 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.07 26.5 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -97.85 28.74 3.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.18 -25.37 14.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.01 -40.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.2 -40.04 70.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -64.56 -31.68 73.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -108.19 35.31 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.975 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -152.38 26.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.4 132.4 33.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.5 -14.0 18.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.855 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mp -63.82 160.54 44.87 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.649 0.738 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 132.37 23.11 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.634 2.223 . . . . 0.0 112.357 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.09 161.06 42.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 mp -103.36 99.98 9.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -136.13 -55.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -52.15 103.4 0.06 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -159.68 72.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -60.14 -27.84 67.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.04 -77.24 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 19.2 m 54.0 38.47 28.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -170.14 166.77 8.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 53.09 34.63 17.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.94 -51.02 2.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.101 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -171.09 169.99 42.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -89.88 80.67 6.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.0 110.927 -179.799 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -167.78 -48.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -109.93 115.91 30.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -92.9 -41.85 9.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.4 pt -105.13 179.69 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.69 -171.85 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.57 90.04 7.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.021 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -125.63 148.71 48.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -69.33 -74.49 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mt 71.0 -69.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.87 -50.09 57.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.5 t -54.31 -52.32 61.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -179.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.8 -44.76 96.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 20.5 mt -56.56 -49.05 75.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.367 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -48.97 79.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.896 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.78 -50.71 69.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -58.98 -47.32 85.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.782 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -54.34 -47.19 72.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.8 m -64.34 -39.53 94.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.819 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -60.23 -64.46 0.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.898 -179.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 pp -54.86 -42.6 72.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.948 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.13 -34.41 76.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.968 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -69.83 -51.98 28.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 -179.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.5 ptt? -67.28 -26.91 66.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -32.92 72.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -59.99 -42.32 93.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -112.34 88.79 2.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.983 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.6 mt -149.04 177.65 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -175.92 5.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.99 179.816 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.14 -51.19 68.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.863 179.825 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -68.49 -49.55 58.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -55.6 -40.89 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -67.0 -49.8 64.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -49.8 62.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -71.67 -35.68 70.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.83 -48.08 73.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.072 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -55.53 -43.26 75.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.62 -35.6 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.07 -51.05 59.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -62.17 -40.42 95.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -62.49 -53.21 58.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.5 -47.02 76.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.0 m -58.87 -47.8 83.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.104 -179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -60.81 -33.17 72.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.813 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.2 m -68.68 -56.28 8.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.96 -32.76 71.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 66.6 mt -70.86 -45.45 73.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.067 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -64.29 -36.87 85.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.795 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 13.1 mt -69.25 -52.47 32.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.156 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -64.23 -44.25 92.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.784 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -43.27 98.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -63.86 -43.03 97.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -52.04 65.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.3 m -66.53 -30.35 49.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -68.57 -42.46 78.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -77.71 -29.94 51.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.84 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 28.8 tp -68.89 -50.3 50.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -138.62 -75.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 179.9 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.67 -177.78 0.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -175.7 143.87 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.18 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 46.9 t -147.74 146.93 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.1 pp -127.72 154.7 77.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.678 0.751 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.427 ' HG2' ' H ' ' A' ' 146' ' ' THR . 53.6 Cg_endo -69.75 -87.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.279 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.427 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 0.1 OUTLIER 178.26 147.34 0.35 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.583 0.706 . . . . 0.0 111.127 -179.882 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 110.83 2.64 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.375 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 15.3 tt -121.69 -33.93 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.194 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.07 -47.0 65.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -51.32 -47.18 62.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.29 -54.03 50.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.2 mp -51.72 -53.41 39.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.96 -64.2 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.9 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 70.1 p -51.53 -32.94 29.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -34.19 69.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -86.9 141.39 28.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -170.47 165.68 8.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 61.52 99.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 84.5 p -130.3 134.11 46.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.16 -51.37 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.86 128.19 35.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.13 171.92 14.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 7.2 m0 57.18 68.47 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -141.96 -49.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -64.77 -42.26 95.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.91 -26.46 5.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.055 -179.842 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -69.08 0.36 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.6 m -48.52 -45.16 36.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.196 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.4 mm -62.72 -46.05 97.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.246 179.834 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.77 -31.95 73.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -55.11 10.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.5 pt -60.3 -35.98 65.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.177 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.41 -54.93 16.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -54.75 -47.62 73.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.3 t -61.83 -45.09 95.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.783 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 12.3 tp -54.86 -57.92 9.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -55.4 -53.02 61.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -52.79 -49.32 65.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -60.83 -35.13 75.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.81 -179.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.67 -61.12 2.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -54.06 -45.62 71.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.818 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.1 -52.84 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 87.3 m -55.22 -36.15 65.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.178 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -67.2 -55.99 11.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.54 -22.83 67.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 6.7 m -77.11 -48.03 18.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.7 t -71.21 -24.7 62.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.196 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 40.6 mtp85 -74.1 -41.15 62.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 41.28 84.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 -179.983 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -131.92 79.07 1.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 p -84.24 144.2 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -94.66 141.46 28.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -108.88 169.11 8.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -91.8 -38.5 5.78 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.505 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -56.48 157.7 4.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.861 0.362 . . . . 0.0 110.853 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.89 152.91 19.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.2 t -117.1 -25.33 7.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 -179.886 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -52.01 146.33 8.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -170.12 37.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 p 52.8 -173.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 -179.886 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.14 159.52 31.66 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.509 0.671 . . . . 0.0 111.198 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -170.95 0.43 Allowed 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.728 2.285 . . . . 0.0 112.297 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -135.18 29.81 3.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -137.8 74.18 45.49 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.596 0.713 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 84.34 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.68 2.253 . . . . 0.0 112.333 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.6 t -74.78 -17.0 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 63.53 27.4 15.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 p -99.08 172.81 7.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.3 p -51.65 -43.27 62.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.42 -51.55 67.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.776 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -61.1 -39.28 89.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.9 t -64.69 -53.46 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.256 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.87 -52.15 50.61 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.43 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.29 -37.84 95.5 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 tt -68.09 -35.78 78.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.8 mt -68.92 -48.66 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.1 t -63.97 -38.82 92.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -65.73 -55.25 18.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.0 p -60.86 -32.99 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.6 mt -66.12 -48.6 70.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -62.83 -42.69 99.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.56 -47.78 83.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.8 mt -58.82 -48.33 86.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.7 t -56.55 -52.81 48.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.093 179.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -56.69 -46.73 81.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -31.92 73.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -67.53 -51.31 52.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.2 pttt -72.22 -28.64 63.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -53.95 -34.24 59.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 mp -60.93 -28.22 68.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.6 m -96.51 27.2 3.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 61.97 28.09 17.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.38 45.06 96.71 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.519 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -100.31 112.12 24.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.84 0.353 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 p -54.84 -28.7 51.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 -179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -63.26 -40.02 96.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -36.72 79.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.9 mtp -59.11 -30.77 68.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -120.05 26.01 9.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -86.55 -61.98 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.71 23.5 13.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -99.39 32.5 2.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.14 -26.42 7.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.065 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.32 -40.77 4.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.62 -32.1 64.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.131 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.11 -27.28 66.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -121.05 27.55 8.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -145.29 26.12 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.47 156.19 21.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.52 -24.58 8.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.777 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.11 160.52 47.57 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.634 0.731 . . . . 0.0 110.951 179.832 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.62 139.45 40.75 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.618 2.212 . . . . 0.0 112.4 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.27 151.51 42.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.0 pt -119.78 160.51 19.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 -179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -139.98 -70.1 0.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.96 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 62.19 35.12 15.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -121.04 -56.83 1.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -87.24 -58.58 2.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.24 161.02 31.54 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 9.0 p -117.58 157.72 25.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.812 0.339 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -157.04 -46.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.43 28.59 6.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.1 m 61.79 90.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -67.84 -152.54 0.34 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.426 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -104.6 -60.14 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 110.919 -179.802 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -66.4 -66.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.85 98.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.417 ' O ' ' CG1' ' A' ' 87' ' ' ILE . 2.8 tt0 -75.82 135.86 40.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.417 ' CG1' ' O ' ' A' ' 86' ' ' GLU . 22.0 pt 43.34 -164.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.175 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 56.8 m -133.18 149.99 52.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -171.44 173.78 4.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 tt -163.25 77.15 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -133.48 129.64 37.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.83 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 79.0 mt -110.4 -22.38 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 83.3 p -63.37 -50.07 71.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.0 m -56.65 -52.0 66.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.52 -51.81 56.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.522 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 57.1 mt -59.31 -47.39 85.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.76 -49.0 79.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.859 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -55.06 -50.35 69.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -57.41 -48.29 79.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -54.1 -46.87 72.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.6 p -63.41 -40.16 96.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.824 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -60.88 -64.46 0.95 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.0 pp -53.66 -40.04 65.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.69 -38.63 91.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -68.77 -42.46 77.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.8 ttt -70.8 -37.89 73.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -25.9 66.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.976 179.871 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -60.88 -39.01 87.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -131.8 99.45 4.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.8 mt -148.29 171.21 16.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -68.82 -176.0 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.59 -51.03 68.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -74.29 -45.2 49.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -56.0 -38.18 70.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -67.75 -51.1 53.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.851 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -53.33 -48.25 68.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -70.54 -39.36 74.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.9 -44.51 74.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.074 179.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -55.67 -49.45 72.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 77.3 t -61.36 -43.16 96.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.58 -49.88 73.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.9 tm0? -60.87 -50.04 75.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.95 -53.12 57.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.895 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.17 -55.0 36.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.5 m -53.32 -50.55 64.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.067 -179.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.69 -41.83 70.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 31.1 m -61.94 -53.75 51.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.4 -52.24 66.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 86.2 mt -54.5 -41.88 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -63.1 -46.94 84.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 41.4 mt -62.07 -53.08 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.99 -41.52 96.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -59.84 -46.62 88.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -62.42 -49.98 73.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.63 -51.99 67.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.995 -179.884 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.6 t -63.03 -31.48 52.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -41.56 77.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.28 -39.12 71.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.7 mp -73.02 -57.56 3.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.35 -169.69 2.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.863 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -115.28 153.72 30.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.1 tp -177.17 141.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.073 179.821 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.4 m -152.85 171.73 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.088 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -149.81 154.81 37.88 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.665 0.745 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.433 ' HG2' ' H ' ' A' ' 146' ' ' THR . 53.3 Cg_endo -69.79 -86.42 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.65 2.233 . . . . 0.0 112.278 179.923 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.433 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -174.88 159.63 2.36 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.541 0.686 . . . . 0.0 111.168 -179.877 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 158.48 56.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.604 2.203 . . . . 0.0 112.323 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.7 tt -126.0 -37.35 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.8 m -55.56 -26.01 41.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -51.75 -44.67 63.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.99 -40.88 95.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.09 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 28.0 mt -62.68 -56.11 20.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.47 -56.61 17.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 80.8 p -56.82 -35.63 69.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.05 -46.94 82.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 169.04 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.04 -178.99 7.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 52.9 67.34 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.3 p -136.91 69.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 -179.712 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -117.86 -74.27 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.27 52.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.14 -172.11 2.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 18.9 p-90 -127.05 29.57 5.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.76 -52.44 2.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.07 -26.12 59.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.82 -26.44 5.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -69.63 -69.02 0.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.847 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.1 m -48.37 -45.58 35.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.9 mm -62.36 -47.58 92.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.204 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -60.84 -30.73 70.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.811 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -71.56 -55.31 8.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 16.2 pt -60.46 -37.79 75.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.177 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.44 -58.58 4.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.825 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -56.98 -41.66 78.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.784 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 72.4 m -62.19 -46.99 86.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.2 tp -58.35 -58.15 9.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.37 -46.99 66.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -59.59 -41.19 89.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 -179.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -66.87 -31.56 72.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 5.2 mp -70.78 -52.16 22.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -59.13 -46.07 89.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.39 -35.29 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.3 m -63.12 -46.61 86.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 9.3 tp -72.09 -36.06 69.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -67.54 -31.36 71.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.07 -49.68 9.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 7.0 t -62.75 -19.19 63.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.135 -179.88 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 49.1 mtm180 -78.42 -45.75 21.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.32 16.62 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.064 -179.838 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.84 0.352 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -142.48 74.97 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -137.16 149.85 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.74 131.27 55.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.963 179.905 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -139.74 176.4 8.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 178.53 37.55 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.522 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -108.25 149.26 28.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -136.94 161.15 36.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 t -125.01 -36.4 2.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.185 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.11 146.56 23.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -173.68 36.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.7 p -88.37 174.16 8.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.19 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.93 159.45 78.61 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.698 0.761 . . . . 0.0 111.09 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 176.89 6.12 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.743 2.295 . . . . 0.0 112.348 179.891 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -155.28 51.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? 64.1 153.53 0.12 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.512 0.673 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 86.42 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.656 2.238 . . . . 0.0 112.297 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.4 m -87.25 -14.27 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 60.65 38.7 18.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.9 p -112.71 167.64 10.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.72 -36.15 34.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.915 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.25 -43.34 74.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.743 -179.786 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -62.69 -50.93 69.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.982 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.9 m -60.73 -43.23 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.2 -53.14 48.82 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.35 -39.31 97.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.39 -179.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.9 tt -65.33 -45.23 85.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.338 . . . . 0.0 110.945 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.8 mm -59.32 -41.8 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.772 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.8 p -66.3 -44.92 82.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -57.89 -55.24 37.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.43 -38.38 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.05 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.82 -49.07 76.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -65.65 -43.82 88.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.969 179.851 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.11 -43.51 95.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.1 mt -63.0 -46.89 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.6 t -58.53 -41.85 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -72.84 -42.98 63.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 -179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.4 ttt -65.37 -31.52 72.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -77.11 -51.19 11.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.21 -28.6 68.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -55.02 -40.82 70.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.1 mt -53.96 -29.38 42.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.9 m -96.04 31.69 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.785 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.4 t30 59.31 26.53 15.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.72 43.49 98.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.524 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -98.76 117.33 32.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -26.82 63.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.827 -179.87 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -35.99 82.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -26.49 67.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.3 mtp -65.85 -38.48 88.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.859 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -113.13 29.36 8.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -86.98 -50.83 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.99 23.17 14.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -99.52 32.0 2.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.99 -26.18 6.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.162 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.23 -38.77 2.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.65 -31.96 66.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -54.17 -28.36 39.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -126.6 40.76 3.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -153.18 27.0 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.58 135.65 33.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -72.6 -26.05 61.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 mt -80.1 154.99 75.08 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.713 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 152.13 68.81 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.679 2.253 . . . . 0.0 112.388 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -144.66 146.78 32.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.9 mt -82.47 140.77 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.096 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -137.73 -59.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.8 mtm-85 -160.2 155.77 25.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.819 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -154.87 144.3 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.67 179.52 4.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -88.9 176.27 44.03 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.508 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 92.8 m -114.53 172.93 6.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.785 0.326 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -165.77 30.75 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -146.66 108.21 4.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 m -117.52 124.15 48.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 -179.889 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.95 37.98 6.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -159.97 -68.84 0.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.868 0.366 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -120.21 150.34 40.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -157.23 40.68 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -105.94 -31.91 8.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -103.32 29.67 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 2.3 m -120.1 145.57 46.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 62.21 176.21 0.13 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.18 149.63 50.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.845 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -68.93 102.06 1.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 69.1 mt -113.47 -25.59 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.211 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.55 -50.13 66.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.9 t -57.19 -48.52 78.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.13 -52.09 54.86 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 16.7 mt -61.18 -54.51 43.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 0.0 110.937 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.6 -48.18 75.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.973 179.862 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -54.05 -55.14 30.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -54.11 -45.67 71.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -56.95 -43.26 81.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -38.68 89.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.822 -179.794 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -62.1 -58.33 8.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.849 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.8 pp -59.33 -37.96 79.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.24 -47.75 84.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -64.66 -45.02 88.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 13.3 ttp -66.91 -26.13 66.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -69.47 -28.61 66.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.37 -29.22 70.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -132.45 94.51 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.5 mt -148.95 173.96 12.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.13 -179.04 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.858 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.39 -51.05 70.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 179.928 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -76.1 -43.64 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -55.73 -36.3 67.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.798 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -71.35 -50.55 31.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.71 -47.67 67.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -71.49 -39.22 71.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.1 -43.79 74.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.045 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -55.35 -49.9 71.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.803 -179.853 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 71.3 t -61.9 -42.31 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.36 -48.8 73.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -65.13 -41.58 94.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.92 -55.47 26.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.03 -38.61 91.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 91.4 m -58.36 -45.37 88.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -68.57 -38.56 80.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.5 m -64.79 -56.24 14.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.1 pp -61.37 -39.4 90.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 21.7 mt -64.6 -38.34 82.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -68.35 -42.25 79.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.7 mt -63.03 -52.09 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -62.14 -43.93 97.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -58.45 -45.3 88.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -54.18 44.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -44.18 72.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.8 t -69.02 -35.22 67.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -64.87 -37.89 89.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.0 -22.1 24.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.782 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 16.7 tp -81.1 -58.12 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.877 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.39 36.05 1.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.51 -175.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -158.22 146.37 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 179.931 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 10.0 m -107.75 142.43 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.824 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.01 90.55 10.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.643 0.735 . . . . 0.0 110.934 179.894 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -40.23 5.53 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.623 2.216 . . . . 0.0 112.323 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.2 m 65.57 77.81 0.27 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.702 . . . . 0.0 111.114 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -179.42 2.91 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.731 2.287 . . . . 0.0 112.285 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -117.91 31.84 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.49 -43.48 96.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.858 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -51.51 -51.1 58.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -51.51 -50.95 58.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.18 179.856 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.6 mp -55.61 -49.06 73.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.44 -63.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.989 179.895 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 54.2 p -51.81 -34.03 38.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.181 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.94 -34.89 75.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.808 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 69.29 -75.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.889 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.67 99.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.86 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -55.95 113.22 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 15.3 m -146.47 104.62 3.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 -179.771 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 63.24 161.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.6 tptp 53.06 -170.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.23 -74.26 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -95.1 -52.92 4.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.5 tp 58.77 26.08 14.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 18.6 ttt85 -81.7 -55.13 4.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.8 -26.72 10.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -69.43 -69.89 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.809 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 95.4 m -48.98 -44.96 41.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.093 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.82 -49.67 83.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.161 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -59.72 -31.53 69.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -55.24 10.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 20.0 pt -62.18 -35.86 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.38 -49.36 64.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -59.59 -52.09 67.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -38.78 88.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 12.1 tp -59.29 -57.98 10.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.03 -52.47 65.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -54.6 -50.43 68.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -61.9 -32.74 73.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.813 -179.913 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.9 -59.79 3.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -55.72 -44.95 77.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 80.1 t -59.52 -44.78 93.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.878 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 84.5 m -61.11 -46.89 88.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -58.45 -53.12 61.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -63.46 -33.95 76.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 29.1 t -64.21 -51.6 62.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.3 t -66.86 -20.41 65.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 -179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -79.97 -176.04 5.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 63.71 18.03 10.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.904 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.7 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.977 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.774 0.321 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -141.99 86.78 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.7 p -78.21 147.69 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -90.42 137.67 32.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -149.65 173.49 13.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.35 42.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -100.31 147.28 25.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -89.85 162.7 15.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.775 -179.83 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.6 t -116.46 -36.91 3.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.188 -179.893 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -142.77 -170.69 3.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -172.11 37.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.3 p -96.6 -179.96 4.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 -179.886 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.65 159.63 71.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.564 0.697 . . . . 0.0 111.055 -179.907 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 178.09 4.97 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.642 2.228 . . . . 0.0 112.405 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -154.4 46.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 61.56 161.0 0.11 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.626 0.727 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 93.63 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.622 2.215 . . . . 0.0 112.419 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.4 t -87.5 -16.84 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 63.52 29.36 15.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.35 161.07 13.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.144 179.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.5 p -51.61 -48.22 63.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.7 m -52.18 -51.44 58.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 -179.797 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -42.03 98.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.7 t -60.64 -54.08 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.13 -51.95 54.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.97 -40.46 93.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -48.2 77.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.798 0.332 . . . . 0.0 110.858 -179.862 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.4 mt -57.98 -42.83 83.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.0 p -63.73 -45.15 91.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.176 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -58.11 -55.21 37.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.2 p -60.18 -34.62 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -48.72 80.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -65.69 -43.74 88.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -59.36 -44.92 92.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.6 mt -63.35 -50.26 79.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -53.27 -54.84 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -58.82 -43.8 90.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.6 ttt -63.24 -31.77 73.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -71.09 -50.99 27.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -69.42 -28.52 66.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -58.21 -29.89 66.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.985 179.878 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.8 mt -59.19 -35.06 72.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.2 m -96.1 35.14 1.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.9 t30 62.71 26.2 15.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.33 42.54 90.06 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -97.67 118.75 34.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.4 p -61.7 -29.6 70.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.56 -35.21 79.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.58 -26.68 66.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 21.8 mtp -62.53 -38.27 89.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -116.13 28.7 8.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -90.11 -62.8 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.58 26.76 4.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -104.57 26.87 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.93 -30.61 6.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.33 -31.45 8.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.27 -28.52 69.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.823 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -61.72 -30.97 71.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -104.83 26.43 9.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.968 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -141.26 26.2 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -116.44 123.96 48.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -115.53 26.47 10.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mp -83.97 160.55 57.72 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.67 0.748 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 119.47 6.41 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.734 2.289 . . . . 0.0 112.316 179.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -148.08 160.15 43.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.7 mp -88.81 129.24 40.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.087 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -112.81 57.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 64.5 mtm-85 54.27 40.76 32.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -126.68 137.4 53.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -176.89 163.24 2.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.7 21.43 2.87 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 7.5 m -80.93 78.71 7.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -160.29 129.26 4.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 54.14 86.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.2 p -74.71 168.05 20.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.66 33.78 2.19 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -173.71 -53.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 0.0 110.97 -179.856 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -60.98 -175.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.794 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -95.96 26.11 4.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 57.06 26.1 11.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 tt -114.34 146.4 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.73 20.72 8.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 55.43 -176.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.26 -172.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.903 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -103.25 -72.71 0.69 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.843 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.9 mt 71.22 -68.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.14 179.848 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.4 m -50.69 -50.26 55.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.97 -52.45 63.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.791 -179.821 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.88 -45.02 95.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.417 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 20.7 mt -56.5 -46.83 80.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.362 . . . . 0.0 110.929 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -49.26 78.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.972 179.811 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.61 -55.92 27.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -55.22 -46.13 75.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.818 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -54.13 -48.0 71.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.72 -39.75 95.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.767 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -60.15 -64.27 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 pp -55.11 -36.97 66.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -35.3 80.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -70.54 -52.01 24.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.024 -179.902 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -66.71 -27.92 68.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.931 179.814 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -64.28 -29.16 70.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.96 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -59.9 -40.25 88.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -125.74 96.94 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.0 mt -146.66 177.97 8.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -77.85 -176.01 4.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -62.7 -51.37 67.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.836 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.66 -48.04 50.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.771 -179.859 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -55.69 -34.49 65.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -68.52 -45.17 72.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.15 -46.18 90.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.825 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -72.07 -32.08 66.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.75 88.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.07 179.844 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -61.99 -49.37 76.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.19 -32.24 56.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.0 mp -65.15 -51.81 58.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -64.69 -39.85 94.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -61.03 -52.04 66.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -58.66 -47.77 83.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 15.4 m -54.99 -51.04 67.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.159 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.6 -36.16 75.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 12.3 m -63.9 -56.17 17.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.84 -31.07 71.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 63.1 mt -70.97 -39.16 74.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -38.2 71.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.4 mt -68.87 -48.54 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.186 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -65.68 -45.17 83.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -64.16 -40.64 96.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.87 -179.8 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -63.68 -51.76 63.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.07 -51.93 67.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.871 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.6 t -60.86 -50.18 81.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.179 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -52.03 -45.13 64.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -69.72 -34.69 74.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.834 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.49 -46.48 85.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -144.01 -75.47 0.24 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.77 163.99 1.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -175.64 144.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.2 m -152.95 -178.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.095 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -174.54 138.68 0.65 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.721 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.428 ' HG2' ' H ' ' A' ' 146' ' ' THR . 54.0 Cg_endo -69.82 -86.81 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.826 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.428 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER 177.81 147.97 0.35 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.54 0.686 . . . . 0.0 111.231 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 151.98 69.5 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.705 2.27 . . . . 0.0 112.349 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 16.0 tt -116.85 -17.59 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.064 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.3 m -51.66 -30.48 21.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -51.61 -50.9 59.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -58.92 -42.88 90.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.5 mp -56.97 -62.08 1.99 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 7.9 mt -52.01 -55.11 22.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 40.7 p -53.98 -33.5 57.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.71 -42.13 71.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -94.9 118.51 31.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 7.6 tp -163.11 37.26 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -79.34 161.47 26.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.24 97.64 8.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 -179.787 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -127.44 157.29 40.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -119.63 47.9 1.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -128.63 137.88 51.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -79.38 66.25 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.49 -34.4 9.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -54.25 -32.19 55.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -26.74 6.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -69.3 -69.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.7 m -48.44 -44.94 35.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.9 mm -63.25 -45.18 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -63.43 -31.25 72.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.982 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -55.4 8.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.817 -179.868 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 13.3 pt -59.15 -39.29 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 9.1 mt -67.67 -47.02 70.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -50.85 70.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.762 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.79 -45.73 92.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.848 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 16.0 tp -52.85 -52.89 55.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -59.67 -52.42 65.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -53.0 -48.11 67.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -65.28 -32.88 74.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.841 -179.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -64.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.942 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -42.86 79.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.905 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 25.1 t -61.94 -52.64 58.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 37.5 m -55.48 -39.46 70.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -64.23 -56.14 16.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -62.75 -24.31 67.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.879 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 38.4 t -74.24 -47.22 36.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.0 t -70.44 -25.04 63.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.134 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -56.93 169.83 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -85.71 -18.06 34.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.266 -179.908 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.8 0.334 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -113.59 76.58 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.4 t -114.51 126.04 71.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.38 96.53 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.3 178.51 7.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.95 -32.53 0.56 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.15 118.17 2.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.37 170.79 5.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.913 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 t -114.98 -25.95 7.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 -179.856 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -121.17 158.64 27.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -155.72 31.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 t -154.03 153.91 32.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.088 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.87 159.58 36.91 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.642 0.734 . . . . 0.0 111.109 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -179.71 3.13 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.591 2.194 . . . . 0.0 112.372 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -102.59 -29.02 11.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.67 157.03 28.22 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 123.28 9.98 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.662 2.242 . . . . 0.0 112.422 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.2 t -101.0 -14.94 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.19 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 60.12 24.21 13.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.953 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 p -103.35 172.9 6.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.213 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.76 -35.0 41.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.177 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.57 -45.31 72.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.871 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.83 -51.33 69.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.7 m -61.29 -41.88 91.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.1 -52.47 53.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.47 -37.93 95.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.507 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 tt -65.96 -38.75 89.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.766 0.317 . . . . 0.0 110.837 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.7 mm -67.05 -42.59 88.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.089 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.6 p -65.05 -47.9 75.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.219 179.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -61.39 -55.07 35.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.7 p -59.18 -33.48 50.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.2 mt -63.98 -48.33 76.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -64.66 -41.61 95.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -62.75 -45.28 93.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.5 mt -62.28 -44.11 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.4 t -60.98 -45.24 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 179.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -69.63 -44.1 71.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.1 ttp -65.27 -31.84 73.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -74.29 -51.12 16.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.53 -28.7 67.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -59.95 -35.0 74.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.8 mt -53.87 -31.92 51.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.54 31.1 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.6 27.91 17.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.973 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.7 44.09 98.02 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -87.04 105.99 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 p -54.98 -27.95 47.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.886 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -34.99 41.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 49.2 t -62.1 -25.96 68.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.7 mtp -67.57 -34.81 77.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -125.55 35.6 4.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -84.71 -74.24 0.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -108.34 39.11 2.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.72 25.68 4.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.0 -31.75 14.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.57 -28.78 5.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.75 -33.27 66.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 179.802 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -64.34 -24.74 67.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -109.59 27.98 9.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -135.62 20.11 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -93.88 -38.57 11.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.11 20.99 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.793 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mp -84.2 160.73 56.74 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.625 0.726 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 81.78 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.589 2.193 . . . . 0.0 112.332 179.883 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.04 160.96 13.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.0 mt -81.59 143.98 11.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.16 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.18 131.51 8.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -54.86 139.53 39.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -135.72 150.01 49.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -81.4 164.15 22.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.29 -65.15 0.29 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 7.7 p -120.4 157.3 29.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.843 0.354 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -168.2 -44.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.982 -179.883 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -110.19 173.14 6.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.2 t -72.23 147.15 46.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 162.05 -170.29 37.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.526 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 56.87 37.76 29.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.872 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.3 m120 72.19 -69.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -156.23 96.16 1.66 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -172.07 85.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 mt -112.52 105.11 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.084 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 29.7 p -72.17 140.08 48.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.1 tp -152.83 37.07 0.5 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.19 -169.71 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.93 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.83 -63.45 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.855 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.9 mt 72.29 -63.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.188 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.6 p -50.36 -47.96 55.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 98.1 p -56.11 -52.52 64.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.906 -179.818 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.95 -51.19 59.7 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.438 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 mp -51.95 -49.98 62.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.93 -49.33 75.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.951 179.841 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.13 -48.98 67.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -58.69 -46.86 86.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -54.34 -46.24 72.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.801 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -39.22 93.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.749 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -59.35 -63.77 1.18 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.4 pp -53.65 -43.62 68.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -55.88 -43.61 77.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -64.84 -42.24 95.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.843 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.81 -37.06 83.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.88 179.895 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.413 ' HG3' ' HB2' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -51.3 -40.06 58.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.66 -26.7 64.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -134.92 92.07 2.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.9 mt -149.42 154.06 38.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.005 179.883 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -65.82 -177.85 0.51 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.955 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.9 -51.25 67.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -70.84 -45.49 64.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -55.62 -45.79 77.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -47.53 84.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.07 -50.55 66.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 179.786 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -68.25 -36.98 80.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.413 ' HB2' ' HG3' ' A' ' 107' ' ' LYS . . . -55.1 -49.09 72.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.851 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -52.82 -37.04 59.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 88.4 t -72.81 -37.79 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.4 mp -66.38 -51.11 60.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -63.17 -45.24 92.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -56.43 -52.21 65.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -57.87 -55.02 40.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.794 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.6 m -55.64 -44.51 77.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.27 -53.53 52.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 98.2 m -62.49 -36.56 82.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.067 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -51.94 64.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.993 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 7.5 mt -61.01 -38.43 79.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.23 179.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -46.24 89.17 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 179.848 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 19.1 mt -63.29 -53.48 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.18 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -59.69 -50.3 74.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -57.9 -38.7 76.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -63.55 -50.15 70.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -52.19 66.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.791 -179.858 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.4 m -64.9 -30.01 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -69.06 -38.74 79.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.891 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.25 -39.43 59.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.829 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.2 -50.26 28.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -139.72 -169.83 2.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -99.31 172.72 7.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.8 tp -176.03 146.85 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.853 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 21.8 m -108.81 -174.49 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.851 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.25 141.66 22.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.594 0.711 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -47.89 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.755 2.303 . . . . 0.0 112.349 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.8 m 65.16 75.08 0.37 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.601 0.715 . . . . 0.0 111.155 -179.88 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 157.97 58.41 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.1 tt -118.23 -14.38 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.77 -33.63 24.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -52.03 -51.02 60.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.72 -42.14 67.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.97 -54.16 45.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.8 -58.26 6.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 179.834 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -42.02 87.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -52.58 -40.04 62.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -77.97 169.45 18.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.6 tt -127.74 -54.23 1.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 60.3 98.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.84 -64.18 1.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.842 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -173.82 -42.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -50.32 65.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -57.37 179.47 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 20.1 p-90 -51.85 146.99 7.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.6 mp -77.55 145.61 36.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -81.32 -18.14 46.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.965 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 4.5 m -50.68 -26.49 5.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -69.72 -69.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 90.5 m -48.46 -44.28 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.2 mm -63.7 -46.89 93.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -62.44 -31.27 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -70.78 -55.26 8.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.6 pt -60.03 -36.78 69.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.149 179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.45 -53.44 28.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -56.82 -44.97 82.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.823 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.5 t -63.94 -41.93 97.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.0 tp -58.95 -49.29 78.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -61.81 -57.44 11.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -49.24 68.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.863 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -61.39 -41.48 97.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 27.7 tp -56.74 -48.67 77.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.949 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -64.22 -45.99 85.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.962 179.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 60.8 t -61.76 -35.9 70.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.052 179.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 60.5 m -71.59 -41.86 68.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.79 -41.28 95.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.99 -35.09 62.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 94.5 p -65.53 -52.03 55.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 -179.734 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.8 t -67.18 -22.92 65.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -81.32 170.75 15.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.33 -18.19 61.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 36.9 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.153 -179.879 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 82.0 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.819 0.343 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -151.78 91.5 1.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.999 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.7 t -142.85 123.79 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -154.32 69.54 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -134.76 -179.65 5.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.94 40.42 4.92 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.496 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.06 103.88 3.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.832 0.348 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.06 159.93 40.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.865 -179.857 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.3 t -123.15 -35.68 2.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.06 174.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.915 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -158.36 49.79 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 p 47.23 90.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.81 159.7 60.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.507 0.67 . . . . 0.0 111.1 -179.911 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.87 -170.78 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.255 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.31 -24.18 9.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mmm-85 -117.39 155.95 49.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 81.06 0.82 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.709 2.273 . . . . 0.0 112.378 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.3 t -74.95 -10.49 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.058 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 63.82 24.89 13.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -87.93 165.66 15.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -51.59 -45.97 63.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.84 -51.33 57.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.774 -179.766 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -36.32 79.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.9 t -63.54 -54.16 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.164 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.37 -51.83 56.81 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.16 -42.95 95.51 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.463 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -50.79 68.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.77 0.319 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.6 mm -53.98 -44.63 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.1 p -64.73 -42.37 95.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -59.0 -55.36 36.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.06 -36.4 72.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.72 -48.2 82.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -66.38 -41.17 89.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.965 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -61.59 -42.67 99.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 32.9 mt -66.08 -49.01 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.92 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.0 t -55.84 -49.48 74.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.1 -41.13 95.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -31.93 73.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -73.37 -51.24 18.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -28.81 67.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -59.9 -34.6 73.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.0 mt -53.95 -36.17 62.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 57.2 m -96.27 37.24 1.26 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 61.94 26.64 16.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.37 24.39 76.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -79.93 108.5 13.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m -56.1 -33.53 65.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.81 -179.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -58.53 -30.18 66.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.7 t -66.55 -32.08 73.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 33.7 mtp -66.5 -28.7 68.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.783 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -121.08 27.7 8.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.92 0.39 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -83.2 -61.41 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -100.12 32.88 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.02 27.59 3.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.75 -26.76 8.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 179.858 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.82 -34.19 3.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.85 -39.18 58.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.043 179.834 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -55.65 -30.95 61.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -103.41 26.3 8.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -140.43 26.12 2.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.02 129.24 55.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.74 25.9 5.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.837 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 mt -83.86 155.01 64.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.543 0.687 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 114.16 3.62 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.643 2.229 . . . . 0.0 112.308 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -146.54 160.58 41.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.8 mt -71.18 105.92 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.098 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -97.83 149.45 22.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 60.84 171.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -158.79 45.12 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.74 176.41 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.39 -59.37 4.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 24.8 m 55.96 47.34 20.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.369 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -141.26 30.18 1.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -108.49 -174.17 2.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.79 171.04 0.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -99.63 97.92 1.86 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.446 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -150.94 169.55 21.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.923 0.392 . . . . 0.0 110.834 -179.76 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -106.15 46.44 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.969 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -110.45 168.68 9.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.416 ' O ' ' CG1' ' A' ' 87' ' ' ILE . 2.8 tp10 -127.18 109.54 11.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 -179.908 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.416 ' CG1' ' O ' ' A' ' 86' ' ' GLU . 22.0 pt 43.38 -164.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 7.4 p -130.41 156.19 45.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.2 mp -139.3 178.67 7.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -121.64 -72.43 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -139.22 -70.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.3 mt 71.07 -69.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.5 t -50.7 -45.73 58.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.6 p -54.02 -52.27 61.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.844 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.44 -46.01 91.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.4 mt -54.28 -48.98 70.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.364 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -49.11 75.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.84 -50.93 69.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -58.74 -47.75 83.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -54.33 -45.05 72.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.15 -36.84 82.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.827 -179.762 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -63.78 -60.21 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 pp -57.32 -47.16 82.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.87 -45.74 78.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.893 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -61.52 -48.61 80.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.983 -179.84 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.9 ttt -63.94 -29.39 70.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.94 179.833 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -27.31 68.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -60.07 -41.82 93.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -127.98 97.71 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.8 mt -149.16 178.11 9.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.988 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -82.12 -178.2 6.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 179.854 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -61.39 -51.47 68.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.862 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -68.19 -50.6 53.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.78 -39.81 68.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -49.75 59.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.817 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -51.82 -46.37 64.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -76.09 -31.91 58.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.84 -44.58 90.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -55.81 -49.4 73.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 89.0 t -62.09 -42.95 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -48.01 83.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.98 179.903 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -51.12 71.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -53.8 -51.92 61.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -55.89 -47.29 77.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 11.3 m -54.46 -51.28 65.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.63 -33.02 74.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 24.4 m -69.54 -56.24 7.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.122 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.2 pp -60.48 -33.8 73.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 67.9 mt -70.02 -44.67 78.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.78 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -62.54 -48.37 79.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.4 mt -62.25 -48.65 87.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -63.77 -39.93 95.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -60.32 -47.44 86.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -63.86 -50.55 68.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.12 -50.26 74.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.58 -33.53 63.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -65.41 -43.21 91.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -82.73 -20.13 36.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.79 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.6 tp -81.8 -58.21 3.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -147.08 34.18 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.844 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.3 tttm 63.74 -169.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 8.0 tp -157.12 147.56 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.191 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.34 150.29 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.179 179.85 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.22 93.68 36.41 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.54 0.686 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -45.04 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.61 2.207 . . . . 0.0 112.315 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.1 m 64.53 83.01 0.2 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.6 0.715 . . . . 0.0 111.176 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 152.27 69.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.9 tt -115.24 -10.7 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.99 -34.99 10.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -51.39 -49.1 62.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.08 79.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 21.5 mt -56.66 -53.39 58.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -54.5 -62.65 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.996 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 65.9 p -53.52 -32.78 51.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -70.62 -31.71 68.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -83.63 119.64 25.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 7.0 tp -160.49 121.87 3.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -154.89 -62.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.959 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 14.4 m -83.05 94.16 7.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.985 -179.881 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -75.77 -37.28 59.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -131.33 93.85 3.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -178.95 157.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.821 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.72 109.19 15.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.94 -43.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.951 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -67.86 -25.81 65.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.57 -26.66 5.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.112 -179.91 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -69.0 -69.06 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 93.8 m -48.54 -44.82 36.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.172 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.2 mm -62.66 -44.88 99.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.174 179.849 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -34.22 75.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -54.94 12.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.837 -179.876 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 22.0 pt -60.1 -35.75 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 18.1 mt -67.18 -52.97 34.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -56.37 -47.2 79.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.795 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.87 -47.92 84.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.4 tp -54.3 -52.2 62.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -57.09 -57.13 13.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -52.87 -46.52 67.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -54.88 -53.05 60.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.796 -179.832 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.23 -42.89 74.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -57.85 -60.34 3.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.875 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.23 -31.81 49.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.162 179.87 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 55.1 m -62.61 -45.11 94.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.6 tp -71.78 -44.97 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -22.67 66.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 37.8 t -82.59 -51.64 7.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 7.5 t -56.28 -28.58 59.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 -179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -72.4 135.2 45.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.808 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -115.14 -19.82 10.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.969 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -81.8 74.43 8.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.5 p -72.12 145.11 12.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.3 109.65 14.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -95.6 -179.37 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.874 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.04 40.53 4.86 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.459 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -89.12 65.53 7.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.761 0.315 . . . . 0.0 110.827 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.1 t80 62.39 175.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 t -89.28 -34.27 16.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 43.94 -163.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -160.7 84.19 0.68 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 p 53.03 -174.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.47 159.6 36.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.547 0.689 . . . . 0.0 111.161 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -170.3 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.606 2.204 . . . . 0.0 112.423 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -95.34 25.52 4.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.3 mtm-85 -114.11 74.18 2.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.556 0.693 . . . . 0.0 110.836 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 81.69 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.777 2.318 . . . . 0.0 112.337 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.7 t -70.84 -11.3 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.11 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 63.84 28.01 14.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.971 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.28 169.94 10.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 -179.908 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.5 p -51.74 -44.43 63.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.177 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.4 -51.46 58.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -61.19 -40.64 94.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.5 t -61.6 -54.3 36.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.93 -51.91 54.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.37 -38.46 93.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.69 -37.85 85.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.7 0.286 . . . . 0.0 110.832 -179.873 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.8 -51.24 64.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 t -61.87 -38.36 88.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -66.47 -55.59 14.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.8 p -61.23 -32.53 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 mt -66.62 -48.55 69.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.4 t90 -63.29 -41.11 98.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.958 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -62.56 -48.7 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.3 mt -59.07 -46.79 91.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.047 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.2 t -57.53 -54.74 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -56.78 -44.25 81.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -31.88 73.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -51.21 52.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.2 pttt -70.24 -28.63 65.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.47 -35.99 66.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.7 mt -61.22 -30.13 70.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 79.6 m -96.04 34.2 1.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 62.63 27.75 16.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.36 37.23 93.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.472 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -97.49 124.62 41.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -29.57 69.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.827 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.9 -41.28 77.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.32 -34.41 68.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.0 mtp -62.69 -29.05 70.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -119.82 27.16 8.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -97.24 -64.01 1.08 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.12 21.61 7.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -97.53 26.56 4.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.53 -29.69 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.73 -36.86 5.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.29 -39.3 63.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.788 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -59.79 -26.11 65.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -106.5 26.06 10.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -142.16 25.75 1.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.6 mt -118.51 132.8 56.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.14 23.37 12.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.854 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mt -83.99 154.64 64.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 122.07 8.76 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.718 2.278 . . . . 0.0 112.334 179.826 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -145.79 160.58 41.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.6 mp -91.48 134.88 28.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.72 174.92 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -69.75 107.44 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -143.62 33.51 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.918 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 71.19 -70.11 0.16 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.842 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 142.72 172.99 14.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.5 m -104.02 101.91 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -99.67 96.35 7.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 61.79 89.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.1 t -66.61 147.9 52.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.106 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -137.17 -174.29 13.26 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.435 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -32.7 72.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 110.958 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -125.98 139.34 53.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 60.54 -173.17 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 57.91 56.0 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.823 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 13.7 tt -116.97 144.32 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 10.5 m -103.85 -33.72 8.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 57.56 32.95 22.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 86.6 mt -97.09 158.32 15.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -96.56 -71.25 0.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.1 mt 70.79 -69.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 t -50.89 -49.59 59.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.812 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -53.96 -52.38 60.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.89 -46.01 95.0 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 16.7 mt -54.01 -49.01 69.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.809 0.338 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.1 mt -62.13 -49.11 77.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.54 -51.9 66.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -56.83 -49.43 75.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.002 -179.892 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -54.13 -45.53 71.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.85 -39.58 94.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.797 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -64.35 -64.45 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.2 pp -51.67 -42.07 61.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.822 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.23 -39.13 93.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.805 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -63.73 -45.51 89.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.767 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 12.9 ptm -73.58 -31.01 63.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.852 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -51.71 -38.73 56.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.93 -44.21 94.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -104.32 84.27 2.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.6 mt -149.18 177.77 9.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -84.7 -176.0 6.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.839 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -51.27 69.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.883 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.54 -50.65 57.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.855 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -55.62 -37.35 68.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -65.95 -53.08 43.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -52.96 -45.14 67.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.817 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -71.34 -37.3 71.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.2 -46.36 79.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.814 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -55.53 -38.27 69.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 85.9 t -72.7 -36.99 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.3 mp -66.44 -51.64 54.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -64.11 -44.16 93.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -59.06 -49.29 78.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -59.23 -47.31 85.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.5 m -55.46 -51.25 67.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 -179.9 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -59.01 -38.52 79.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 89.2 m -63.92 -54.35 36.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.42 -30.69 71.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 48.6 mt -70.92 -40.65 76.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.845 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -70.64 -39.23 73.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 27.3 mt -66.78 -51.6 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -63.32 -48.53 77.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -59.84 -40.48 88.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -63.79 -48.8 75.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.89 -52.14 66.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.837 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.4 m -65.8 -30.41 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.103 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -43.94 85.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -77.43 -30.61 53.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -48.48 55.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -140.42 -75.59 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.79 168.26 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.0 tp -177.28 138.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.2 m -152.95 173.19 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -149.92 154.5 37.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.629 0.728 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.426 ' HG2' ' H ' ' A' ' 146' ' ' THR . 53.9 Cg_endo -69.73 -87.0 0.0 OUTLIER 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.686 2.257 . . . . 0.0 112.411 179.789 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.426 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -178.52 158.94 1.09 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.509 0.671 . . . . 0.0 111.238 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 119.64 6.55 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.637 2.225 . . . . 0.0 112.37 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.5 tt -128.88 -38.5 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 15.1 m -51.88 -36.02 47.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -50.75 -49.37 58.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.04 -48.52 75.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.0 mt -54.78 -55.0 34.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.07 -62.53 1.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 67.8 p -51.13 -32.92 24.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -30.98 45.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.9 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -66.07 -174.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.21 106.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -68.09 -27.94 66.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.62 175.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.901 -179.82 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -93.88 45.32 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -156.11 35.89 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -55.02 157.47 3.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -77.04 105.18 7.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 58.76 54.12 5.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -65.4 -42.82 92.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.795 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.64 -26.46 5.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.149 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -69.62 -69.03 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 70.8 m -48.5 -46.39 38.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 37.8 mm -60.92 -51.01 78.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -61.81 -27.96 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.52 -55.25 9.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.9 pt -61.1 -36.52 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.35 -49.71 62.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.901 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.4 ttpp -61.02 -48.06 83.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.809 179.84 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.45 -40.18 93.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 12.9 tp -63.37 -49.74 72.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -57.24 13.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -56.71 -36.04 69.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -70.14 -31.79 69.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 28.7 mt -72.22 -45.77 58.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.75 -43.95 87.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.794 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.02 -34.0 61.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 6.1 m -69.09 -48.36 62.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.193 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.32 -31.66 67.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -73.22 -38.44 66.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 6.5 t -73.48 -51.98 15.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.5 t -51.63 -31.49 25.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.47 138.69 39.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -105.31 16.51 25.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 13.9 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 -179.884 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.5 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.838 0.351 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.57 84.52 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.4 p -56.55 134.85 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.1 mmt-85 -141.76 148.61 39.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.8 mtm180 -88.26 -179.67 6.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.858 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.24 -43.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.48 144.5 48.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -89.54 178.64 6.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 t -123.31 -35.22 2.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.049 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.01 -170.25 2.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -172.21 42.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.7 p -128.1 152.37 48.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.104 -179.833 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.21 159.67 71.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 111.214 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -171.26 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.753 2.302 . . . . 0.0 112.362 179.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -98.58 -30.95 12.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -144.5 155.97 56.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.566 0.698 . . . . 0.0 110.937 179.903 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 108.3 2.06 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -101.53 -13.05 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 63.48 24.89 14.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.005 -179.833 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 p -93.01 163.94 13.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.093 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -51.56 -47.0 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 p -52.52 -51.33 60.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.4 tm0? -60.89 -37.47 82.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.3 t -63.69 -54.04 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.07 -51.9 55.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.41 -45.08 94.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.459 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.63 -50.22 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.68 0.276 . . . . 0.0 110.84 -179.861 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mm -54.0 -46.47 65.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 179.878 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.2 p -63.37 -40.66 97.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.082 179.939 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -59.7 -55.55 32.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.42 -38.21 80.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.181 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 mp -57.95 -48.29 80.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -66.52 -42.17 87.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -59.58 -43.03 93.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.2 mt -66.14 -49.74 74.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.914 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.4 t -56.66 -46.66 82.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.153 179.883 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.37 -40.85 94.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.2 ttp -65.31 -31.55 72.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.05 -51.59 15.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.826 -179.913 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -28.69 67.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -59.78 -34.64 73.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 mt -53.92 -38.47 64.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 57.8 m -97.45 37.16 1.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t30 63.23 37.01 11.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.24 44.1 91.57 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.459 179.884 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -100.91 109.34 21.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.744 0.306 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.6 -28.76 70.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.46 -26.14 66.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -26.18 68.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.7 mtp -67.71 -50.64 56.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -96.7 29.68 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.29 -48.57 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.01 23.37 13.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.47 -27.42 31.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.6 -33.23 66.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.92 -26.16 14.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.72 -33.46 48.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.801 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -51.97 -30.18 23.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -117.9 26.03 9.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -140.31 26.06 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 179.877 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.75 -69.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 58.0 24.43 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 179.886 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.4 mp -82.23 160.69 62.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 82.26 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.644 2.229 . . . . 0.0 112.349 179.905 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -118.69 160.88 21.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 31.2 pt -106.95 149.73 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -170.95 48.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -174.36 -179.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 61.57 90.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -114.7 32.12 6.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.853 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -145.12 -109.2 0.62 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.548 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 3.8 t 60.45 49.69 6.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -119.84 162.06 19.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 52.59 89.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.0 m -71.2 131.53 43.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.22 -130.07 1.21 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.428 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -80.96 -39.49 25.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.789 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -77.98 100.07 6.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -162.88 178.5 8.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -165.05 -70.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.0 pt -149.45 152.89 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.17 110.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.846 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.8 tt -170.99 -50.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.4 mt 62.67 -177.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.997 179.906 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -131.47 65.78 1.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.789 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 70.9 mt -78.17 -31.46 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.9 p -61.68 -50.1 73.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.5 t -56.36 -52.04 66.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.05 -50.99 58.5 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 16.1 mt -55.12 -51.36 66.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -49.25 67.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -50.36 70.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -55.14 -46.88 75.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.964 -179.895 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -57.28 -49.21 76.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.772 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.9 p -61.99 -33.05 73.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.753 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -68.21 -64.65 0.82 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 pp -53.04 -36.6 60.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.1 -46.34 74.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.822 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -59.0 -45.13 91.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 13.4 ptm -75.05 -27.22 59.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -67.99 -32.64 73.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.55 -25.53 64.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.34 90.01 2.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.6 mt -145.44 178.0 8.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.86 -175.94 3.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -63.81 -51.08 66.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.877 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -72.27 -46.94 53.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -55.69 -36.65 67.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.865 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -69.89 -44.48 69.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.86 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -49.13 77.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.769 179.936 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -70.28 -41.18 73.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.69 -44.66 73.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.806 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -55.66 -49.66 72.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.86 -39.79 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.2 -50.05 75.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -59.75 -49.26 78.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -52.54 59.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -56.09 -45.99 79.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.5 m -55.68 -51.25 67.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 -179.781 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -60.8 -34.87 75.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 56.8 m -66.24 -56.03 13.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 -179.933 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -31.67 71.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 63.8 mt -71.93 -39.84 67.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.791 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -68.93 -40.4 79.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 87.4 mt -69.14 -47.79 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -65.22 -46.9 78.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -63.52 -40.49 97.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -63.0 -51.22 67.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.03 -52.05 67.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.3 t -59.59 -52.85 56.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 -179.945 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 26.8 tttm -52.26 -44.02 64.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.841 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -66.44 -37.7 85.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.893 179.821 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.1 mp -69.87 -35.39 74.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -151.21 -75.14 0.15 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.37 -174.5 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 179.927 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -175.57 145.04 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.835 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.5 m -152.75 173.07 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.887 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -149.75 154.62 37.8 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.624 0.726 . . . . 0.0 110.875 179.913 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.427 ' HG2' ' H ' ' A' ' 146' ' ' THR . 54.3 Cg_endo -69.75 -86.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.655 2.237 . . . . 0.0 112.365 179.808 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.427 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 0.1 OUTLIER 178.45 147.41 0.36 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.562 0.696 . . . . 0.0 111.113 -179.938 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 110.09 2.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.248 . . . . 0.0 112.353 179.914 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -121.0 -32.75 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 179.877 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.7 p -51.86 -40.16 60.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -50.69 -49.97 56.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.43 -47.36 76.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 16.1 mt -56.01 -53.82 52.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.842 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.81 -62.73 1.46 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.966 179.843 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 82.7 p -51.2 -32.85 25.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.01 -39.05 58.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.846 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 13.0 mttt 56.4 -177.73 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 38.2 tp -124.83 -71.47 0.71 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -151.72 -64.92 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.6 m 62.37 68.26 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.86 -68.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -135.91 -49.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -57.35 163.13 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 42.9 p-90 -140.79 113.27 8.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.5 mt -123.95 41.95 3.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -77.43 -29.99 53.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.852 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.57 -26.09 8.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.925 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -70.05 -69.5 0.35 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.8 m -48.72 -43.64 37.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 32.2 mm -63.27 -52.67 55.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -60.43 -26.32 66.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -72.73 -56.72 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 9.5 pt -61.57 -41.77 91.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -65.7 -47.77 74.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.965 179.898 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.11 -48.83 75.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.901 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 20.0 t -60.96 -42.29 97.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.3 tp -56.53 -51.54 68.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -59.47 -55.22 37.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.854 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -53.63 -49.01 68.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -54.26 -50.39 67.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 62.4 mt -57.55 -40.57 79.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.72 -61.77 2.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.816 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 6.4 p -57.25 -38.45 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 60.8 m -58.07 -48.34 80.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.234 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 6.7 tp -67.87 -35.69 78.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.984 179.894 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -29.13 67.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.915 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.7 t -82.33 -50.11 9.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.703 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 6.8 t -61.14 -17.92 55.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.173 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -74.73 157.37 35.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.829 -179.922 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -179.33 101.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 -179.89 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -130.98 92.6 3.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.14 123.82 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.251 179.852 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -123.05 107.67 12.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.03 168.75 13.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.95 46.5 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.536 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -65.17 167.71 7.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.772 0.32 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.1 -174.53 2.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.819 -179.841 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.8 t -118.59 -29.71 5.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.175 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -104.54 159.1 16.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.6 p-10 -163.29 50.73 0.16 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.5 t -100.04 159.63 14.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 -179.905 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.42 159.63 68.61 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.569 0.7 . . . . 0.0 111.162 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -172.71 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.635 2.224 . . . . 0.0 112.34 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -65.63 -44.86 85.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -125.79 155.22 73.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 122.87 9.54 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.724 2.283 . . . . 0.0 112.398 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.5 p -101.32 -21.55 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.15 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 63.85 53.02 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.1 p -107.01 162.79 13.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -51.42 -47.49 62.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 -179.94 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.52 -51.53 59.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.85 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -37.04 79.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.6 t -63.41 -54.43 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.18 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.88 -52.26 53.28 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.437 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.86 -43.74 94.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.536 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -48.67 76.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.841 -179.865 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.3 mm -54.49 -43.53 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.151 179.869 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.7 p -65.65 -43.06 90.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.071 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -58.98 -55.5 34.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.3 p -59.67 -37.73 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.59 -48.91 79.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.973 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -64.65 -42.89 95.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.16 -44.27 97.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 37.8 mt -61.94 -49.5 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.8 t -55.82 -58.71 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.041 179.908 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -55.95 -38.54 70.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.6 ttt -66.82 -31.93 72.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -51.22 21.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 -179.83 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -28.44 64.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -53.82 -36.8 62.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.0 mp -62.44 -30.28 71.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.77 34.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t30 60.41 33.95 20.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.846 179.934 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.99 44.72 94.42 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.497 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -99.66 112.01 24.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.82 -28.78 70.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.45 -26.98 64.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.879 179.9 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 12.3 t -68.26 -26.53 65.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.6 mmt -71.54 -36.96 71.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -100.99 27.99 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -101.52 -43.72 5.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.98 23.17 14.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -102.4 36.41 2.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.6 -33.44 4.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.65 -38.62 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.31 -33.31 63.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.714 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -57.81 -26.43 61.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -127.42 41.07 3.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -152.07 28.82 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.03 135.37 36.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.97 179.929 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.69 -24.22 58.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.891 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 mt -77.16 154.5 82.43 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.585 0.707 . . . . 0.0 110.952 179.892 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 160.73 48.61 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.634 2.223 . . . . 0.0 112.348 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -148.0 128.72 14.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.2 mt -51.82 135.22 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.192 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -138.06 157.11 47.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.1 ptt-85 -59.34 120.63 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -176.51 170.75 2.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -165.85 164.28 18.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 177.13 -179.72 47.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.494 -179.899 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.1 m 58.67 83.96 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 110.948 -179.854 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -136.87 -42.26 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.952 -179.827 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -131.21 179.23 6.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.8 t -71.26 158.69 35.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 -179.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 165.96 171.34 32.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.432 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -110.23 28.36 8.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.901 0.382 . . . . 0.0 110.972 -179.817 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -90.46 174.72 7.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -63.69 -48.33 77.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 57.64 94.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.6 tt -62.01 -34.29 62.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 54.93 -172.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.93 137.7 58.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.7 -169.99 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 179.859 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.5 mttt 63.1 -170.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.822 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mt 71.11 -68.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.066 179.811 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.6 p -50.75 -50.35 55.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.907 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.6 t -57.65 -52.33 65.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.839 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.33 -52.61 51.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.6 mp -60.96 -34.59 74.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.907 0.384 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.7 tp -63.86 -49.74 71.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -62.02 -52.3 64.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -55.18 -41.23 71.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 -179.91 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -63.35 -43.57 97.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.915 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.55 -28.81 68.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.959 -179.849 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -72.77 -55.27 6.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.922 -179.879 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.45 -43.45 96.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -67.68 -32.88 73.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -66.83 -49.6 65.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 24.1 ptm -65.68 -42.02 91.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.4 tptm -59.2 -28.51 66.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.84 -24.31 64.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -153.42 71.36 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.1 mt -119.97 178.04 4.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -175.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.974 179.763 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.3 -50.46 60.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.874 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -76.23 -44.91 35.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.803 -179.849 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.9 mmtm -55.91 -32.7 64.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -70.25 -42.19 72.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.825 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.02 -38.4 88.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.944 179.846 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.6 -47.1 23.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.35 -47.08 82.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.886 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -53.19 -50.51 64.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 -179.903 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.08 -46.65 94.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -42.68 88.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.016 179.879 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -61.02 -50.08 74.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -54.88 -51.57 65.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.93 -50.48 70.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.8 m -56.84 -50.53 72.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.873 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -54.75 -39.12 67.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.2 m -64.59 -50.98 65.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.056 -179.897 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.5 -30.84 71.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 78.9 mt -72.98 -39.22 57.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.02 -39.85 75.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.876 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.6 mt -69.12 -47.69 73.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -63.58 -47.13 82.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -64.31 -39.78 94.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -61.39 -53.45 56.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.47 -51.97 67.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.9 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.7 t -59.54 -36.62 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -69.21 -35.56 76.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.3 -36.97 69.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.851 179.859 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.81 -58.09 3.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -122.72 -169.87 1.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.855 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -100.07 173.61 6.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.8 tp -176.05 146.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.186 179.858 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.8 m -143.41 177.49 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 179.771 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -176.95 138.18 0.43 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.648 0.737 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.454 ' HG2' ' H ' ' A' ' 146' ' ' THR . 52.6 Cg_endo -69.76 -85.35 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.645 2.23 . . . . 0.0 112.273 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.454 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 0.1 OUTLIER 178.83 147.44 0.38 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.538 0.685 . . . . 0.0 111.17 -179.888 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 141.87 46.21 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.647 2.231 . . . . 0.0 112.348 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.4 tt -116.57 -20.43 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 97.4 p -51.71 -37.03 49.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -51.73 -50.35 60.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.56 92.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.835 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.5 mt -58.25 -64.04 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 10.6 mt -51.88 -55.03 22.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 179.872 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 64.1 p -55.05 -32.88 62.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -74.03 -26.89 60.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 179.869 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -80.25 147.79 31.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.0 pp -67.58 -172.65 0.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.61 179.13 6.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.13 169.8 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.86 -179.774 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.7 -179.03 0.1 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -96.87 84.83 3.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.32 131.66 7.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 62.61 95.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.968 -179.91 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -53.79 105.88 0.16 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -78.98 -28.1 43.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.93 -26.46 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.91 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -69.65 -68.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.97 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 93.5 m -48.34 -44.92 34.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.7 mm -63.38 -46.2 96.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -62.89 -32.23 73.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -55.1 10.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.853 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.6 pt -60.27 -36.16 66.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.87 -55.69 13.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -55.35 -45.46 76.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.4 t -61.53 -44.7 96.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 19.2 tp -57.18 -50.84 71.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -57.11 14.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.773 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -54.08 -48.27 70.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -57.54 -48.78 78.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.37 -50.81 66.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -56.79 -48.51 77.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 57.3 t -61.25 -44.08 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.814 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 93.2 m -57.51 -46.98 83.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.077 -179.928 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.13 -49.45 74.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 53.1 ttt-85 -61.85 -32.54 72.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 29.3 t -70.25 -51.91 27.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.8 t -63.48 -25.02 68.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -78.66 165.94 23.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -179.3 101.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 35.2 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.183 -179.952 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.879 0.371 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -119.4 87.08 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.6 t -134.21 127.53 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -174.79 126.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -60.73 169.92 1.66 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.72 -44.44 0.19 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.524 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.5 t0 56.51 -179.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.811 0.339 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -56.77 144.26 33.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.009 0.433 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.0 t -129.93 6.94 5.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.197 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -68.77 146.51 52.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.16 90.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 p -77.04 101.26 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 -179.854 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -138.68 159.65 66.52 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.601 0.715 . . . . 0.0 111.096 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 177.15 5.89 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.749 2.299 . . . . 0.0 112.344 179.966 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -81.49 -53.56 6.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 51.89 74.2 0.83 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.587 0.708 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 82.51 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.731 2.287 . . . . 0.0 112.387 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.6 t -90.34 -18.05 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 63.66 37.34 10.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.887 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.1 t -110.31 159.88 17.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.167 180.0 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.9 p -51.14 -48.99 61.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -51.61 62.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.787 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -61.09 -39.33 89.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.1 t -63.28 -54.51 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.89 -51.85 52.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.16 -43.73 96.89 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 -179.859 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.95 -50.09 70.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.721 0.296 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.0 mm -53.74 -44.91 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.8 p -64.98 -42.85 94.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -59.13 -55.47 34.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 179.885 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.4 p -60.56 -36.21 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -60.21 -48.36 82.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -65.37 -42.03 93.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.868 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.95 -42.32 98.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.6 mt -65.41 -45.64 92.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.214 179.884 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.5 t -60.01 -44.52 94.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.143 179.833 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -70.24 -42.9 71.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.8 ttt -65.86 -31.76 72.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.0 ttp85 -75.28 -51.11 14.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -28.74 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -55.58 -39.58 70.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.0 mp -54.15 -30.57 49.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.2 m -95.95 32.36 1.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 58.27 29.51 18.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.71 44.37 95.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.462 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -100.6 117.93 35.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.922 0.391 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 83.3 p -59.62 -27.17 66.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -40.4 94.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.849 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 t -61.51 -34.22 75.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.4 mtp -62.91 -45.26 93.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -104.18 26.18 9.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -83.51 -61.69 1.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.72 26.51 10.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -98.13 27.36 4.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.94 -30.96 8.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.031 -179.956 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.37 -31.09 5.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.68 -32.63 71.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 179.826 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -52.89 -32.78 47.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 -179.929 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -120.79 26.89 8.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.91 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -138.03 27.1 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.09 132.74 36.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.26 -25.99 63.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.768 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.0 mt -79.61 154.89 76.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.616 0.722 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 149.98 67.53 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 179.763 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -147.67 123.36 10.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 57.8 mt -54.67 119.32 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -160.33 26.45 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 ptt180 -162.24 151.38 15.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -132.1 97.58 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 -179.905 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -100.96 162.84 12.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.94 162.71 12.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.487 -179.928 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.1 t -160.6 110.26 1.73 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.788 0.327 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.49 -174.77 4.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.915 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -109.4 -44.46 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.32 -57.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.169 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 169.41 168.52 31.5 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.457 179.955 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 60.35 179.68 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.97 0.414 . . . . 0.0 110.94 -179.712 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.5 t30 61.94 179.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -126.06 101.41 6.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.94 98.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.7 pt -120.32 159.0 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 25.7 m -87.23 147.95 25.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 179.879 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -153.96 159.65 41.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.969 179.936 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -175.47 -38.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.882 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.79 -170.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.9 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.1 mt 71.06 -68.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 p -50.87 -49.63 58.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.5 t -57.0 -52.17 66.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 -179.762 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.82 -51.7 57.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.483 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 mp -59.35 -40.43 86.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.94 -49.14 71.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.839 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -58.96 -50.74 72.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.844 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -57.98 -45.26 87.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -57.0 -48.5 78.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.67 -36.44 83.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.837 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -62.75 -64.37 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 pp -54.48 -39.11 67.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.94 -37.1 86.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -68.19 -50.14 56.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.915 -179.883 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.3 ptm -68.45 -26.83 65.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.856 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -65.33 -30.21 71.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.94 -37.84 80.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.959 179.935 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -124.79 95.99 4.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.4 mt -146.54 176.0 10.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.974 179.898 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -73.75 -175.92 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.859 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -62.71 -51.03 68.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -73.79 -46.19 47.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -55.86 -37.09 68.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.17 -49.65 59.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.901 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -54.56 -47.36 73.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -71.31 -40.04 71.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.95 -43.42 73.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.081 179.832 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -55.73 -49.53 72.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.76 -44.59 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.49 -47.11 82.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -61.2 -50.83 71.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -53.21 55.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -55.09 -50.52 68.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 18.9 m -53.54 -43.9 68.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.178 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -68.43 -31.51 70.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.4 m -67.23 -56.55 9.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.906 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.29 -42.56 99.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.53 -37.19 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.805 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -70.12 -41.52 73.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 179.854 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 18.0 mt -64.8 -51.81 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.117 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.72 -49.97 72.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -57.58 -40.47 79.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -65.25 -46.52 80.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.09 -52.0 67.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.2 m -66.7 -30.5 49.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -36.34 77.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.875 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -77.82 -41.64 36.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.871 179.831 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -49.15 49.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.847 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.28 -175.89 4.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.852 179.861 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -99.09 125.39 44.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -175.57 144.58 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.79 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 4.9 m -153.18 153.43 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.472 ' C ' ' CD2' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -51.4 154.77 2.85 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.621 0.724 . . . . 0.0 110.826 -179.958 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.433 ' HG2' ' H ' ' A' ' 146' ' ' THR . 53.8 Cg_endo -69.89 -86.67 0.0 OUTLIER 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.602 2.201 . . . . 0.0 112.366 179.838 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.433 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 0.3 OUTLIER 178.45 146.99 0.36 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.572 0.701 . . . . 0.0 111.147 -179.954 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.83 116.73 4.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.5 tt -130.52 -39.38 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.78 -36.06 72.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -51.02 -49.41 60.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.93 -48.64 75.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.872 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 16.8 mt -54.61 -55.03 33.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.59 -62.9 1.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 56.9 p -52.16 -32.84 37.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 179.928 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.5 -39.61 70.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 179.883 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -79.14 174.68 11.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -174.91 -42.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.97 179.879 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -179.17 125.47 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 6.6 t -171.88 50.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.739 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 61.98 169.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.73 28.34 8.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -122.6 -35.8 3.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 69.21 -75.95 0.06 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.55 154.18 31.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.943 179.901 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -66.37 -31.37 72.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.86 -26.38 5.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.852 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -69.44 -69.05 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.2 m -48.59 -44.93 37.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.106 -179.918 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.5 mm -62.9 -46.15 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.894 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -62.95 -32.12 73.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.965 179.949 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.83 -55.09 10.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.9 pt -60.29 -36.11 66.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -67.13 -54.87 17.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -55.26 -49.01 73.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.01 -47.45 85.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 7.6 tp -54.11 -52.01 62.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.62 -56.41 21.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.916 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.15 -50.14 65.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.874 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -57.56 -46.48 83.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.97 -179.928 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 9.9 mt -55.01 -49.72 70.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -58.36 -49.74 76.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.91 179.861 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 29.4 t -61.29 -36.38 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 179.879 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 97.0 m -63.27 -59.35 4.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.082 -179.962 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.87 -46.35 78.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 57.3 ttt85 -64.28 -33.85 76.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 30.4 t -71.04 -52.08 21.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.797 -179.763 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 8.9 t -61.61 -25.1 67.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.213 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -78.44 116.3 18.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.63 16.54 5.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.895 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 82.5 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 -179.939 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.895 0.378 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.53 70.88 1.42 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.9 p -83.69 146.07 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.62 107.35 7.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.6 mtp85 -115.57 174.93 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.36 36.09 0.11 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -107.12 140.6 39.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.8 0.333 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -128.25 137.04 51.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.7 t -121.91 -40.5 2.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.056 -179.803 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 44.07 -163.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -175.29 90.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.81 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.1 p -85.37 139.02 31.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 -179.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.21 159.65 40.56 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.672 0.749 . . . . 0.0 111.135 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.75 -171.28 0.46 Allowed 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.667 2.245 . . . . 0.0 112.384 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -105.83 30.08 6.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -113.67 73.74 2.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.541 0.686 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 116.78 4.72 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.585 2.19 . . . . 0.0 112.301 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.6 t -108.78 -14.86 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 179.849 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 63.56 51.83 2.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.003 -179.873 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 t -107.97 159.07 16.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -51.37 -47.13 62.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.27 -51.71 51.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.829 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -60.65 -41.57 95.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.973 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.2 t -61.13 -54.53 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.185 179.902 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.73 -51.76 52.95 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.26 -40.46 93.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.953 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.28 -38.68 91.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.348 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.0 mm -63.69 -55.88 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.895 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.6 t -57.82 -41.85 83.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -63.72 -55.14 25.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -31.88 41.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -67.15 -49.0 66.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -61.74 -42.22 98.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.3 -48.07 81.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.0 mt -58.96 -41.45 83.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.5 t -62.44 -50.36 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.113 179.826 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.61 -41.85 95.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.5 ttt -67.29 -34.79 78.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.8 ttp85 -68.21 -51.32 46.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.3 -28.31 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.71 -34.71 59.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.6 mp -67.51 -29.53 68.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.92 31.3 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 62.87 39.49 10.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 53.49 45.02 67.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.464 179.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -100.75 102.74 13.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 110.905 -179.875 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.69 -28.93 64.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.852 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -71.35 -26.59 62.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 48.1 t -65.54 -28.69 69.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.0 mtp -57.44 -33.34 67.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.935 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -120.55 26.94 8.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -86.26 -48.72 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.8 23.42 13.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -101.97 38.31 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.27 -25.1 9.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 -179.979 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.84 -37.78 2.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.859 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.49 -28.32 59.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.15 179.813 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -56.45 -26.44 53.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -114.45 29.0 8.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -147.42 28.48 0.98 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.58 -47.93 5.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.994 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.98 23.95 10.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.785 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.4 mt -84.11 159.27 60.06 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.653 0.739 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 93.11 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.632 2.221 . . . . 0.0 112.346 179.874 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -143.2 139.4 30.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.4 mp -51.83 122.97 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.184 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -100.21 62.64 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 58.05 65.76 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.794 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.62 -52.51 64.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 54.79 -169.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.06 19.68 47.75 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 27.8 m 54.86 -174.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.927 0.394 . . . . 0.0 110.824 -179.882 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -110.17 141.52 42.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.31 -176.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.46 106.46 2.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.944 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.88 -177.03 35.1 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -119.78 48.78 1.48 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.924 0.392 . . . . 0.0 110.951 -179.81 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.77 -59.12 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.974 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.33 129.31 29.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.07 34.56 4.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 69.3 mt -78.57 -50.98 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 69.21 -75.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 179.905 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -172.17 159.12 4.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -177.99 104.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.879 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -144.48 94.52 2.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.831 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.2 mt -115.6 -25.67 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.905 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.96 -33.01 70.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.874 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.8 t -57.34 -52.23 66.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.21 -51.13 40.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tp -55.27 -44.86 76.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.94 0.4 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 45.3 mt -64.5 -49.25 72.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.42 -53.39 58.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -55.56 -46.6 77.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -56.22 -47.49 78.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 p -63.72 -35.1 79.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.769 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -66.17 -64.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.2 pp -51.29 -46.23 62.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.34 -51.18 70.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -54.8 -40.78 69.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.823 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.5 ttp -71.18 -31.58 67.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 179.913 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -65.62 -32.72 74.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -59.21 -20.69 56.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -144.56 79.4 1.6 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.2 mt -136.49 178.24 7.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -71.22 -177.46 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.827 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -63.4 -51.25 66.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.813 179.846 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -72.32 -49.14 36.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -55.72 -28.54 56.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -68.31 -45.65 72.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.69 -38.34 83.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.843 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -72.74 -48.96 34.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.935 179.899 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.03 -50.09 74.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.859 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -53.77 -49.99 67.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 74.1 t -59.0 -43.35 88.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.62 -46.83 83.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -60.38 -48.47 81.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.893 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -53.82 -51.58 63.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.78 -49.6 76.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.7 m -56.46 -49.62 74.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 -179.912 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -55.32 -45.29 76.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.812 -179.894 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.0 m -59.3 -54.71 43.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.57 -30.08 69.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 25.7 mt -68.91 -44.11 81.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.816 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -66.28 -47.22 74.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.906 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.2 mt -60.76 -52.27 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -62.14 -45.36 93.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -56.51 -42.46 78.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -65.65 -49.64 67.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -55.67 -52.28 64.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.808 -179.888 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.63 -31.14 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -41.12 97.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.858 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -88.17 -19.92 26.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.81 179.9 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 11.8 mt -81.63 -58.23 3.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -143.85 36.94 1.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.795 179.894 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 63.77 -176.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 8.0 tp -150.69 147.66 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.821 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 18.7 m -103.45 154.24 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.62 94.0 45.3 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.588 0.709 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -45.66 1.5 Allowed 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.687 2.258 . . . . 0.0 112.352 179.851 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 16.6 m 64.57 82.82 0.21 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 0.0 111.145 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 151.27 68.9 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 179.939 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.8 tt -119.15 -10.15 11.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.9 p -47.94 -35.95 11.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -51.65 -50.35 60.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -52.51 -45.3 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.066 179.9 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 14.2 mt -60.46 -48.97 79.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.911 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.04 -60.54 3.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.948 179.922 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 30.9 p -53.61 -40.47 65.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -63.64 -40.24 96.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 2.9 mttt 69.17 -75.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.1 mt -178.01 -56.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.92 179.844 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.77 -41.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.98 171.33 13.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.795 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -95.1 101.15 12.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.87 -31.81 4.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 62.31 72.1 0.51 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 -79.47 91.29 5.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.1 mt 52.36 50.45 18.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.16 -26.2 66.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 179.881 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.8 -26.36 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -69.39 -69.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.0 m -48.84 -45.11 40.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.7 mm -62.75 -44.72 99.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.158 179.865 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -62.56 -33.02 74.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.992 179.858 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -70.09 -55.17 10.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.773 -179.912 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 25.2 pt -58.69 -35.72 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.73 -54.56 18.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -58.08 -49.93 75.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.846 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 86.7 p -60.69 -41.06 94.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.9 tp -58.22 -54.84 42.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -57.44 -56.66 18.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.874 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -53.34 -44.3 68.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -57.69 -48.8 78.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.7 mt -57.56 -53.26 60.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -51.76 -50.51 60.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.786 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 85.1 t -59.1 -45.9 92.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 179.834 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 48.4 m -59.31 -34.56 72.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -70.54 -52.09 24.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 50.7 ptt85 -67.98 -19.96 64.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.795 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 74.8 p -80.79 -49.45 11.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.823 -179.728 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 8.9 t -59.8 -23.03 62.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -78.21 -172.8 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 63.34 16.73 9.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 67.6 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 -179.902 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.819 0.342 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 56.24 60.63 3.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.9 p -115.12 142.65 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.043 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.58 65.96 1.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.2 mmm-85 -147.88 168.66 21.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.36 51.88 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -105.33 88.05 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.349 . . . . 0.0 110.783 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -156.55 157.01 34.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 t -126.59 -37.52 2.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.227 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 62.82 167.26 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -168.45 36.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 -179.919 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.2 p -103.52 149.37 24.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.104 -179.802 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.28 159.58 35.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.701 . . . . 0.0 111.106 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 178.14 4.88 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.653 2.235 . . . . 0.0 112.401 179.9 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -154.04 41.83 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 61.31 160.4 0.11 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.573 0.702 . . . . 0.0 110.936 -179.844 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 105.64 1.52 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.671 2.248 . . . . 0.0 112.346 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.4 t -94.57 -22.05 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 63.46 25.23 14.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.816 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -109.64 168.61 9.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 -179.922 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.75 -36.8 27.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.01 -43.27 75.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.924 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -62.68 -51.49 67.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.2 m -60.44 -43.98 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 179.9 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.67 -52.31 53.79 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.94 -39.79 97.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.544 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tt -64.35 -46.94 81.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.338 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.5 mm -59.05 -42.97 88.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.792 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.9 p -64.88 -43.65 92.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -58.88 -55.59 33.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.771 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.1 p -60.01 -35.6 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.35 -48.59 81.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.6 t90 -65.28 -41.81 93.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -62.69 -41.5 99.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.3 mt -65.23 -47.42 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.123 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.0 t -58.87 -46.76 90.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.189 179.871 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.8 -42.1 82.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.0 ttt -66.01 -31.82 72.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -51.04 17.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.859 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -28.79 66.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.55 -39.91 74.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.4 mp -55.25 -28.88 56.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.8 m -98.41 31.03 2.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 179.85 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.21 28.6 18.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.77 43.02 92.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.93 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -99.53 107.61 19.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 110.909 -179.863 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.6 p -54.45 -29.7 50.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.787 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -31.09 72.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.6 t -63.31 -27.28 69.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.8 mtp -63.71 -50.22 70.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -110.83 37.42 2.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.812 -179.85 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -76.64 -43.09 39.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.9 27.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -77.33 -26.08 51.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.791 -179.931 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.64 -34.9 53.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.4 -31.11 10.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.85 71.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.738 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -53.71 -31.68 49.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -114.94 34.04 5.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -142.92 26.77 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.947 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.0 132.56 50.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.8 -26.06 20.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.816 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.64 160.8 49.98 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.7 0.762 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 142.74 48.37 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.744 2.296 . . . . 0.0 112.272 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -145.75 143.3 29.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 72.8 mt -80.48 105.14 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.204 179.974 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -102.75 120.22 40.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.32 178.1 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.897 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -151.57 -45.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -74.41 134.05 42.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.66 95.79 2.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.524 -179.895 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 71.4 m -110.41 59.98 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.907 0.384 . . . . 0.0 110.93 -179.913 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.6 t80 61.3 95.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.003 -179.875 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 52.69 85.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.2 p 51.26 -170.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.155 -179.929 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.45 -32.36 2.35 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.527 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.2 t80 52.27 31.39 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.878 -179.873 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -170.33 -173.37 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -62.94 -73.48 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -171.28 73.32 0.05 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.921 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 50.7 mm -103.06 100.82 11.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.23 128.99 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.891 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.436 ' CD1' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -149.93 165.12 33.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.64 -178.55 5.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -84.58 87.64 7.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 179.861 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.2 mt -91.75 -37.17 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.853 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 m -52.06 -44.47 64.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.0 m -57.19 -51.96 67.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.846 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -55.67 -51.15 56.84 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.42 -45.88 80.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.358 . . . . 0.0 110.879 -179.878 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -49.33 76.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -56.64 -52.67 64.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -56.32 -45.15 80.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.824 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -56.23 -48.4 76.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 m -62.77 -37.61 87.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.751 -179.772 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -61.57 -63.57 1.23 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 -179.884 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.0 pp -55.91 -35.86 67.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.04 -46.11 90.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 179.862 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -65.54 -42.98 91.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.759 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.8 ttt -70.35 -25.85 63.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -70.66 -26.04 63.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -36.53 77.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -129.25 97.16 4.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.887 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.0 mt -149.05 176.14 10.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.956 179.933 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -75.39 -175.98 2.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.832 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -51.02 68.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -73.91 -45.91 47.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.71 -39.67 71.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.868 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -65.56 -49.62 68.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.834 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -54.38 -48.39 71.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.864 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -67.64 -40.99 84.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.92 -46.06 74.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 179.83 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 14.1 ttt-85 -55.65 -49.59 72.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.8 -179.897 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 90.2 t -60.12 -40.45 83.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.75 -50.21 74.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -59.37 -51.64 69.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -53.95 -53.15 56.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -53.95 -46.42 71.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 9.4 m -58.11 -47.13 84.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 -179.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.64 -33.33 74.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.1 m -69.14 -56.2 8.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.924 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 pp -59.73 -33.21 71.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.961 179.916 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 66.7 mt -71.74 -42.92 70.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -43.84 95.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 179.934 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 52.5 mt -67.29 -53.02 36.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -58.67 -48.52 80.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -61.31 -41.31 96.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -63.19 -40.68 98.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -65.38 -52.17 55.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 34.3 m -64.94 -33.54 64.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 -179.935 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.04 -41.17 78.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -78.31 -25.37 46.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.8 tp -79.98 -48.21 13.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -137.22 -75.15 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.975 179.802 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.4 -169.75 0.15 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.866 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -174.07 146.08 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.905 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 17.8 m -142.41 166.55 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.188 179.847 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -179.16 137.63 0.32 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.608 0.718 . . . . 0.0 110.858 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.43 ' HG2' ' H ' ' A' ' 146' ' ' THR . 53.8 Cg_endo -69.71 -86.45 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.737 2.291 . . . . 0.0 112.37 179.835 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.43 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 0.1 OUTLIER 178.82 147.61 0.39 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.573 0.702 . . . . 0.0 111.145 179.972 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 120.19 7.01 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 5.5 tt -116.64 -22.49 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -45.69 64.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.82 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -50.97 -49.9 59.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.33 -53.23 56.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.028 179.874 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.0 mp -51.75 -53.83 35.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.69 -64.23 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 64.2 p -51.57 -32.88 30.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.931 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -30.55 31.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.883 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 12.7 mttt 58.74 177.34 0.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.2 mt -155.85 89.58 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 63.29 161.34 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 63.9 m -89.95 85.18 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.894 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -146.99 34.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -106.9 134.66 49.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.892 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -158.06 -48.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -146.41 31.8 0.99 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.5 pp -112.25 -25.92 9.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 32.7 ptt85 -57.31 -28.93 63.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.87 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.84 -26.73 10.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.194 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -69.76 0.33 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.819 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.3 m -48.77 -45.18 39.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.23 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.6 -49.78 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.854 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.46 -29.37 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -55.22 9.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 18.2 pt -61.93 -37.0 77.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.26 -53.05 33.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -58.72 -43.07 90.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.871 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 5.2 t -64.23 -42.46 96.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.6 tp -62.8 -41.11 99.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.0 -57.25 8.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.824 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -56.66 -37.18 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.792 -179.867 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.84 -48.78 70.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 -179.89 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 31.2 mt -60.72 -37.7 82.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.869 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -66.55 -59.77 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 179.867 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 11.3 p -56.87 -31.05 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 179.884 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 98.7 m -78.02 -32.92 51.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -72.47 -35.71 68.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.63 -37.65 24.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 48.3 t -69.68 -49.13 56.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.3 t -51.85 -29.7 20.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -58.98 -178.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -114.67 -19.86 10.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 40.6 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.922 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.832 0.349 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -150.71 94.95 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.999 179.935 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.9 t -118.6 144.33 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.17 120.18 31.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -129.64 177.84 6.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.41 -19.88 1.88 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.908 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -117.32 90.19 3.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.84 0.353 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 53.45 -172.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.819 -179.924 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.3 t -102.25 -32.52 10.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -145.87 151.58 38.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -161.65 27.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 p 52.71 -173.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.98 159.52 30.78 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.593 0.711 . . . . 0.0 111.184 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -179.24 2.8 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.703 2.269 . . . . 0.0 112.296 179.972 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -124.53 26.36 7.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.5 mtp85 -126.79 74.31 75.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.677 0.751 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 86.55 0.57 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.579 2.186 . . . . 0.0 112.395 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.14 -12.25 10.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 63.41 54.16 2.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.835 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.6 t -119.79 164.99 15.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 -179.976 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.96 -34.15 19.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -68.45 -44.9 73.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.869 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -61.3 -50.61 72.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.0 m -62.22 -39.95 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.63 -52.82 50.13 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.432 179.913 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.21 -36.31 92.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.447 -179.87 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.6 tt -69.33 -35.97 76.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.789 0.328 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.1 mt -68.53 -47.89 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.092 179.875 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.8 t -64.29 -40.43 95.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -65.18 -55.06 20.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.43 -33.29 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 -179.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.4 mt -64.73 -49.01 72.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.0 t90 -63.21 -42.62 99.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -43.67 98.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.4 mt -61.75 -47.02 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.4 t -59.49 -44.31 92.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -69.09 -42.56 75.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.3 -31.78 72.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.54 -51.06 13.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -28.72 67.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -53.72 -40.92 66.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.7 mp -54.9 -27.69 44.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.13 31.13 2.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.836 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.06 26.19 15.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.23 42.55 99.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -89.42 106.58 18.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.901 -179.887 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.9 p -52.62 -39.52 61.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.791 -179.837 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -65.59 -37.41 86.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.6 t -54.37 -27.45 36.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.5 mtp -67.98 -50.94 52.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -102.35 32.95 3.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.49 -62.46 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.6 29.98 7.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.914 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -96.22 29.76 2.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.61 -35.08 6.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.28 -36.1 5.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.58 -30.83 71.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 179.775 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.49 -27.29 68.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 -179.934 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.44 27.31 9.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -139.7 26.15 2.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.19 -40.67 10.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.984 179.924 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.47 22.32 9.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.778 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.7 mt -84.03 158.47 61.56 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.712 0.767 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 83.42 0.69 Allowed 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.658 2.238 . . . . 0.0 112.365 179.828 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -122.94 147.88 46.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.4 mt -52.15 144.17 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.21 92.97 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 62.62 103.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -139.04 152.97 48.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -149.92 57.99 0.98 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.41 47.69 89.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 69.25 -75.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -173.66 86.93 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 58.72 -170.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.02 -40.31 95.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 -179.886 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.53 159.22 7.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.5 179.937 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -123.22 -58.35 1.63 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.951 0.405 . . . . 0.0 111.042 -179.805 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -172.18 -46.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 179.946 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -57.69 178.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 62.19 177.81 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.42 178.83 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -134.36 120.23 19.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.28 116.15 28.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.92 149.59 28.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 179.831 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -149.2 27.34 0.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.993 179.766 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.7 mt -90.08 -41.37 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.221 179.802 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -47.85 81.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 -179.856 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.3 t -53.83 -52.32 60.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.834 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.85 -51.04 61.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.455 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.57 -48.94 73.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.861 0.362 . . . . 0.0 110.912 -179.886 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.89 -49.19 76.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.88 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -54.96 -49.97 70.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -55.89 -50.18 71.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.933 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.526 ' HE2' ' HB2' ' A' ' 126' ' ' GLU . 38.7 t-80 -55.6 -43.7 76.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.3 m -63.64 -38.57 91.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -63.97 -61.65 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 -179.921 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.4 pp -54.23 -38.83 66.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.5 -35.45 77.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -70.68 -38.34 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 -179.842 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.6 ttp -75.13 -34.56 61.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.93 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -25.79 68.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -59.84 -39.99 87.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.971 179.864 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -130.25 98.82 4.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.5 mt -149.03 178.02 9.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -79.19 -176.0 4.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.796 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -62.59 -51.06 68.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.882 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.48 -48.78 59.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -55.96 -37.46 69.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -52.91 39.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.832 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -53.16 -45.89 68.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.896 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -70.68 -40.01 73.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.79 -42.66 75.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.038 179.802 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -55.6 -43.64 76.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.82 -34.75 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -52.08 49.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -42.36 95.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -58.87 -53.14 61.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -56.87 -55.22 37.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.769 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.7 m -55.91 -44.57 78.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.843 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.526 ' HB2' ' HE2' ' A' ' 100' ' ' HIS . 37.3 tt0 -53.97 -53.45 52.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 98.7 m -61.41 -36.05 79.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 -179.936 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.06 -52.08 61.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 10.2 mt -60.08 -37.87 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.873 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.67 -48.17 78.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.735 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 35.2 mt -64.01 -53.32 45.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 -179.976 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -57.99 -41.69 83.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -61.6 -49.47 76.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -56.98 -51.24 70.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -56.0 -52.01 65.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 99.0 t -59.73 -44.39 93.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -56.66 -44.25 81.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -77.11 -23.06 51.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 179.854 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.22 -58.04 3.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -151.05 29.99 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.832 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 30.6 mttt 61.69 166.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.0 tp -177.54 136.45 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.147 179.85 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.5 m -148.07 159.91 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 179.897 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.68 154.88 33.67 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.659 0.742 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.42 ' HG2' ' H ' ' A' ' 146' ' ' THR . 54.3 Cg_endo -69.7 -87.03 0.0 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.749 2.3 . . . . 0.0 112.354 179.851 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.42 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -178.8 159.0 1.02 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.505 0.669 . . . . 0.0 111.201 -179.964 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 154.83 67.2 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.767 2.311 . . . . 0.0 112.249 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.72 -35.46 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.899 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.4 m -54.25 -28.24 40.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.946 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -51.46 -45.42 62.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -63.45 -31.92 73.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.049 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 24.9 mt -69.2 -57.57 5.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.5 mp -56.85 -46.32 81.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 65.9 p -63.95 -41.98 97.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -55.52 -38.24 68.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.42 123.34 28.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.22 142.92 18.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -166.14 179.53 5.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.911 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.1 m -160.83 89.61 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.763 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -164.07 46.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm 52.27 64.07 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -93.97 148.47 22.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 29.3 p-90 -132.21 26.27 4.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.7 mp -95.11 -25.95 16.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -56.61 -28.47 60.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -27.05 11.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 -179.922 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -69.78 -69.61 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.893 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.7 m -48.65 -45.87 39.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.14 -50.23 81.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -58.24 -30.99 66.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.995 179.85 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.14 -55.35 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 18.0 pt -61.92 -37.2 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.032 -179.947 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.22 -56.4 10.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -54.02 -45.24 71.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 8.3 t -60.83 -49.34 77.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.1 tp -53.11 -55.71 21.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.36 -53.42 54.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.837 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -46.15 68.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.948 -179.912 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -62.68 -36.0 81.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.22 -58.79 6.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -45.88 79.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.845 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 69.3 t -61.21 -52.78 57.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.922 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 54.8 m -51.53 -49.79 61.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 5.8 tp -61.38 -41.23 96.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -64.16 -30.8 71.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 26.9 t -74.51 -52.06 13.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 -179.83 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.2 t -59.87 -32.66 70.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -59.22 158.59 8.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -59.71 -21.01 60.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 81.0 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 -179.841 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.794 0.331 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -141.51 112.91 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.03 146.43 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.07 -179.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -163.28 151.11 13.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -67.78 178.66 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.42 55.38 0.5 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.454 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.49 -179.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -56.81 154.22 9.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 t -125.54 -36.75 2.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.915 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 43.92 -163.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.31 92.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.809 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.1 p -52.0 105.49 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.6 159.61 50.62 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.64 0.733 . . . . 0.0 111.169 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -170.77 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.729 2.286 . . . . 0.0 112.341 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -94.18 39.93 1.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -129.1 153.74 80.38 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.66 0.743 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.89 121.91 8.56 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.651 2.234 . . . . 0.0 112.337 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.8 t -95.33 -10.17 9.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 63.68 54.29 1.88 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 -179.884 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 t -108.51 159.07 16.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.171 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -51.08 -47.52 61.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.8 m -51.56 -51.33 56.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -61.01 -39.38 89.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.3 t -61.76 -54.4 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.56 -52.17 53.46 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.437 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.31 -39.47 92.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.523 -179.912 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.45 -39.95 89.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.7 mm -62.46 -53.07 52.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.854 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 t -61.26 -37.82 84.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -67.33 -55.27 14.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.1 p -62.15 -32.4 54.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.4 mt -67.03 -48.3 68.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -63.97 -40.54 96.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -49.55 74.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.4 mt -58.96 -46.16 91.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.084 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.7 t -59.37 -46.65 92.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.886 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -65.81 -42.89 90.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.9 ttt -66.72 -31.87 72.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -73.88 -50.44 20.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -28.85 65.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -54.06 -36.64 63.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mp -58.38 -28.81 65.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 98.1 m -97.25 29.26 3.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.4 t30 58.55 26.47 14.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.74 35.92 49.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.41 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -90.75 115.25 27.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.792 0.329 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.4 p -62.95 -40.04 96.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.62 -26.22 63.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -29.61 70.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.915 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.5 mtp -63.37 -49.21 74.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -110.44 33.78 4.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -69.62 -42.22 74.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.18 27.43 0.94 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 179.894 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -76.67 -25.91 54.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.971 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.8 -29.92 21.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.084 179.914 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.88 -38.47 5.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.66 -38.99 61.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 179.862 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -54.7 -29.74 53.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.878 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -108.34 28.83 7.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -136.82 26.82 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.9 126.88 53.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 179.939 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.5 -28.26 25.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.836 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.77 156.26 73.26 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.593 0.711 . . . . 0.0 110.989 179.883 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 121.44 8.12 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 179.909 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -146.42 125.94 13.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 57.3 mt -54.39 144.05 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -174.46 36.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -121.04 168.85 11.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -141.63 120.46 12.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.864 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -156.19 165.73 35.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.902 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.01 160.79 14.57 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 57.0 m -112.65 -31.37 6.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.5 t80 60.66 89.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.972 -179.822 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 53.62 -171.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -162.49 134.11 5.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.911 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.49 -49.73 0.82 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.455 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.23 -47.55 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.929 -179.787 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -97.19 -177.18 3.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -55.2 165.38 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.959 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -164.25 74.71 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.835 -179.862 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.4 pt -120.15 70.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 82.9 m -118.34 59.38 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.4 mt -128.96 166.41 19.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -164.45 -170.45 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.55 104.2 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.956 179.83 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.1 mt -117.22 -26.88 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -48.81 50.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.907 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.4 m -53.88 -52.21 61.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.97 -50.95 62.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.543 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 39.1 mt -55.46 -50.46 69.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.836 0.35 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.7 -49.29 73.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.849 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -51.38 65.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -55.53 -48.81 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.848 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -54.86 -47.52 74.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.1 t -62.28 -37.23 84.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.912 -179.844 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -64.15 -64.51 0.87 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.893 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 pp -53.33 -37.61 62.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.27 -38.43 85.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -66.85 -42.35 85.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.899 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.5 ttp -74.93 -34.14 62.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -60.79 -27.93 68.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.91 -41.27 91.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.892 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -126.3 96.62 4.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.7 mt -148.36 177.96 8.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -78.86 -176.15 4.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 179.89 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -62.43 -51.08 68.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.82 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -70.46 -48.39 56.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -55.94 -36.93 68.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 179.919 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -51.49 47.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.779 179.895 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.74 -48.09 69.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -69.86 -39.52 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.95 -46.05 74.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.183 179.876 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -55.73 -49.56 72.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.8 -179.932 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.38 -43.04 93.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.11 -50.06 75.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -58.49 -49.51 77.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -53.93 -53.07 57.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.88 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -55.44 -45.65 76.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.7 m -56.13 -51.4 68.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.154 -179.935 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -63.04 -30.65 71.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 85.9 m -68.81 -52.44 30.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.16 -179.92 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.73 -32.32 73.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.818 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 72.9 mt -72.58 -39.06 60.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.895 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -71.8 -38.48 70.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 29.2 mt -70.41 -45.68 74.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -67.77 -43.28 80.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -65.91 -43.31 88.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -63.8 -48.27 77.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.95 -52.0 67.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 98.5 t -63.14 -38.03 80.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.093 -179.982 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.854 179.929 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -71.78 -35.61 70.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 7.2 tt -70.48 -41.6 72.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -149.22 -75.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 179.798 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.3 174.12 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.1 tp -177.23 139.97 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.214 179.921 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.7 m -152.59 -178.43 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.12 179.818 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.476 ' C ' ' CD2' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -151.76 155.03 33.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.696 0.76 . . . . 0.0 110.881 179.946 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.429 ' HG2' ' H ' ' A' ' 146' ' ' THR . 54.2 Cg_endo -69.8 -86.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.749 2.299 . . . . 0.0 112.342 179.84 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.429 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 0.1 OUTLIER 178.84 147.44 0.38 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.634 0.73 . . . . 0.0 111.162 -179.951 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.63 12.38 Favored 'Trans proline' 0 N--CA 1.464 -0.213 0 C-N-CA 122.728 2.286 . . . . 0.0 112.338 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 17.0 tt -119.18 -30.5 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.0 p -52.1 -30.12 24.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -51.94 -50.98 60.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.43 -39.59 88.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.87 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 25.0 mt -59.47 -63.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 5.5 mt -52.86 -52.9 55.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 58.6 p -56.56 -32.95 65.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.85 -26.34 64.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -131.02 91.79 3.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 179.925 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.94 -59.29 1.88 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.959 179.919 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 63.29 97.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.88 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 42.3 m -106.27 111.11 23.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.759 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -164.43 -179.76 6.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -52.7 63.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.974 179.87 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -118.3 167.55 11.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -176.45 173.5 2.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.96 179.922 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 2.5 tp -105.74 26.5 9.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -63.85 -26.98 68.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -26.52 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.58 -68.97 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.873 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.8 m -48.61 -44.7 37.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.1 mm -63.15 -46.51 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.158 179.866 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -62.93 -32.1 73.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.74 -54.97 11.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 21.2 pt -60.52 -36.03 67.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.53 -50.56 58.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.88 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -58.36 -44.38 88.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 2.6 p -64.91 -43.76 91.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 16.6 tp -57.43 -55.91 28.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.76 -53.04 62.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.909 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -53.08 -48.87 67.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -58.48 -47.43 84.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.873 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 2.3 mt -54.26 -55.64 26.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -54.12 -53.77 48.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 59.0 t -56.92 -35.8 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 96.6 m -63.37 -60.22 3.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -55.41 -37.85 68.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 30.6 ttt-85 -68.6 -47.89 65.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 3.4 t -60.28 -52.17 66.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.729 -179.726 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.7 t -60.61 -23.68 64.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 33.6 mtp85 -82.29 121.24 26.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -122.18 -46.03 2.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.927 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.704 0.288 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.42 101.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.8 t -144.62 134.23 19.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.998 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -160.95 89.87 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -59.01 164.35 3.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.21 52.52 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.35 167.81 12.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.752 0.31 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.04 -179.53 3.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.954 -179.874 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.0 t -112.47 -35.6 5.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 -179.941 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 59.62 -179.03 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -169.05 31.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.8 p -140.01 124.04 17.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.251 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.9 159.53 68.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.587 0.708 . . . . 0.0 111.09 -179.847 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 -173.08 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.58 2.187 . . . . 0.0 112.425 179.825 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -105.88 -26.39 11.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.55 156.61 66.55 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.614 0.721 . . . . 0.0 110.871 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 104.88 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.635 2.223 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.8 -12.58 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.871 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 63.53 41.12 7.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.8 t -108.04 160.19 15.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.0 p -51.16 -48.46 61.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.208 179.975 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.83 -51.51 56.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.4 -41.93 97.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.6 t -60.97 -54.25 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.962 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.33 -51.62 54.95 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 179.961 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.88 -42.15 94.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.904 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -50.66 66.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.718 0.294 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.2 mm -53.9 -44.2 60.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.822 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.8 p -64.58 -45.6 86.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -62.51 -55.15 30.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.5 p -59.69 -33.4 51.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.894 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.1 -48.33 74.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.6 t90 -63.47 -41.19 98.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.886 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -62.13 -47.31 85.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.7 mt -60.4 -48.12 89.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.6 t -56.6 -55.37 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.788 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -57.42 -45.84 84.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -31.89 73.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.825 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.19 -51.24 40.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -70.66 -28.64 64.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -56.59 -29.97 62.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.3 mt -62.94 -26.82 69.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 60.5 m -102.72 29.93 5.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.882 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 t30 62.76 32.42 16.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.85 35.85 92.54 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -90.78 107.18 19.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.752 0.31 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.06 -28.36 51.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.809 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -37.93 89.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -27.05 66.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.5 mtp -69.69 -45.62 67.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -106.4 34.46 3.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -94.07 -63.06 1.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.48 32.91 4.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -99.13 27.27 5.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.756 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.01 -34.46 5.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.856 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.17 -36.86 5.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.86 -36.8 63.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.092 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -54.74 -30.17 55.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -109.18 26.2 10.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -141.32 26.1 2.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.7 -48.3 4.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.01 24.09 9.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.2 mt -84.02 159.28 60.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.617 0.722 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 105.38 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.671 2.247 . . . . 0.0 112.385 179.822 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.95 161.07 42.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.7 mp -78.55 129.65 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.053 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -134.86 44.88 2.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.946 179.88 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 54.85 86.81 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.834 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -124.77 124.96 43.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.19 150.69 48.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.864 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 151.84 50.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.528 -179.95 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -140.35 105.39 4.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -176.89 3.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -108.07 -37.09 6.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.0 m 57.51 70.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.171 -179.921 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.25 -171.05 2.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.465 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 61.87 -177.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.93 0.395 . . . . 0.0 110.886 -179.815 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -55.0 174.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.827 -179.921 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.17 121.4 27.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.5 134.48 11.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.897 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.4 pt -136.9 151.39 27.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 30.5 p -69.6 166.93 17.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.3 -70.09 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 59.39 177.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 179.867 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.24 -172.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.831 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mt 71.11 -69.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.105 179.808 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.77 -50.07 56.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.879 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -52.35 60.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.23 -46.56 94.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 20.5 mt -54.03 -44.78 71.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.742 0.306 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -49.25 70.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.885 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.76 -53.0 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 179.848 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -57.81 -47.4 82.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.978 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -54.53 -44.31 72.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.944 179.865 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -65.24 -41.48 94.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -59.92 -63.0 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.874 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 pp -54.27 -43.88 71.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.63 -39.67 81.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -67.38 -44.98 77.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 -179.876 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 37.9 ttp -68.51 -30.93 69.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.06 -25.81 67.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.954 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -60.12 -37.49 80.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -134.01 100.78 4.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.1 mt -148.37 175.38 11.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -72.42 -176.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.789 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -63.01 -51.12 68.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -73.63 -45.74 51.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm -55.85 -39.86 72.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.928 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -68.04 -48.98 64.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.88 -48.8 66.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -72.67 -36.59 67.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.95 -45.74 74.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.079 179.713 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -55.65 -49.44 72.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.8 -40.43 85.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.37 -50.02 74.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -52.02 67.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 179.896 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 36.4 ttm-85 -53.73 -53.2 55.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -54.07 -45.99 71.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.804 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 11.0 m -56.9 -51.17 70.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.169 -179.869 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -63.27 -28.18 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 21.9 m -71.69 -56.1 6.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.861 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 pp -62.3 -34.54 76.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.931 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 79.1 mt -70.32 -47.61 65.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.253 179.738 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -61.6 -40.61 95.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.829 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 24.1 mt -67.04 -52.33 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -61.64 -46.55 89.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.56 -41.17 96.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.793 -179.939 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -63.56 -45.55 89.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -60.96 -52.24 65.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.4 m -65.43 -30.81 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -42.8 80.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.904 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -76.59 -30.63 57.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.9 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 28.2 tp -71.29 -47.37 57.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -141.78 -75.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.874 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -179.74 167.27 1.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -175.74 143.77 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 179.829 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 5.8 m -153.09 178.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.856 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.476 ' C ' ' CD2' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -152.01 154.89 33.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.681 0.753 . . . . 0.0 110.884 -179.98 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 144' ' ' LEU . 54.1 Cg_endo -69.74 -87.05 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.716 2.277 . . . . 0.0 112.324 179.909 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.423 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 0.1 OUTLIER 178.12 147.28 0.35 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.562 0.696 . . . . 0.0 111.155 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 108.07 2.0 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.661 2.24 . . . . 0.0 112.361 179.927 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 2.9 tt -116.89 -24.78 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.154 179.922 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.99 -35.05 45.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.89 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -50.7 -51.14 52.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.68 -48.88 71.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.5 mt -54.07 -55.62 25.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.91 -63.07 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 61.9 p -51.77 -32.99 33.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -72.31 -34.82 68.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -82.8 118.88 23.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 14.1 tp -173.41 141.91 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -163.51 165.61 23.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.1 m -86.59 145.93 26.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.81 -174.72 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.09 -71.56 0.17 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.908 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.91 -55.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 20.4 m-90 -62.58 110.74 1.8 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.2 tp -173.1 -62.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.96 -26.72 63.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.941 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.76 -26.46 9.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -179.91 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -69.3 -69.69 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.9 m -48.85 -44.59 39.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.217 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.52 -48.32 89.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.185 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -62.07 -29.22 70.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 179.877 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -55.21 8.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 17.9 pt -60.1 -37.47 73.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 179.9 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.74 -54.99 14.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -57.94 -45.6 86.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.004 179.804 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.4 t -61.23 -46.37 90.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 22.3 tp -56.61 -58.12 9.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -52.73 -51.25 61.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -58.34 -38.51 77.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -68.97 -30.04 68.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 55.1 mt -73.22 -46.65 49.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -64.13 -43.88 93.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.808 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 21.9 m -68.96 -36.81 75.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 21.6 m -72.37 -34.99 68.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -73.84 -40.25 63.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -75.22 -32.96 61.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 32.9 t -74.07 -51.55 15.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.771 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.0 t -57.85 -29.79 65.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 -179.943 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -80.93 95.85 6.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.791 -179.938 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -93.23 -18.35 22.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.07 -179.878 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.889 0.376 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.0 93.73 2.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.951 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.1 t -133.8 140.44 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.23 80.13 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -101.36 178.61 4.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.99 30.39 14.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.538 -179.874 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -118.88 83.38 2.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.786 0.327 . . . . 0.0 110.805 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -133.14 163.64 28.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.769 -179.911 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.7 t -123.05 -35.05 3.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.209 -179.862 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -52.09 145.69 10.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -165.25 29.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.911 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.1 p -147.26 158.73 44.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -179.958 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.4 159.63 70.87 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.531 0.682 . . . . 0.0 111.155 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -170.95 0.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.725 2.283 . . . . 0.0 112.383 179.938 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -90.5 -42.6 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -125.82 155.28 73.01 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.633 0.73 . . . . 0.0 110.834 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 137.38 35.15 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.702 2.268 . . . . 0.0 112.319 -179.969 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.4 m -111.09 -19.48 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.152 179.93 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 60.65 32.97 20.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 -179.848 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.2 p -106.63 175.2 5.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.213 179.936 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.03 -35.33 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.9 m -68.3 -45.02 74.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.823 -179.854 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -61.06 -51.14 70.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.1 m -61.73 -41.18 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.7 -52.42 53.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.416 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.98 -39.32 97.93 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.511 -179.871 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 tt -66.53 -34.81 78.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.1 mm -68.64 -50.68 53.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.078 179.798 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 t -62.86 -37.87 88.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.949 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -66.16 -55.46 16.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.78 -32.57 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.6 mt -66.6 -48.44 69.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -63.82 -40.11 95.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -64.09 -45.07 90.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.4 mt -62.37 -44.66 99.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.058 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.4 t -60.62 -50.09 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -66.09 -40.93 91.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.1 ttp -66.76 -32.23 73.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.816 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -72.75 -50.63 23.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -70.18 -28.89 65.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.22 -38.82 68.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.98 179.911 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.8 mp -54.62 -28.59 47.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.76 34.79 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 60.8 28.33 18.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.8 40.97 97.74 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -98.04 105.82 18.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 64.7 p -54.02 -33.46 57.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 -179.901 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -30.97 69.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.41 -32.85 74.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.0 mtp -69.25 -36.8 77.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -111.43 30.01 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.19 -63.86 1.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.84 23.6 13.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -76.07 -26.74 56.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.74 -25.6 55.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.3 pp -115.59 -41.07 3.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.45 -29.03 65.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 179.761 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -62.39 -26.32 68.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.945 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -123.74 30.6 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -133.81 27.04 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.28 127.55 51.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.997 179.868 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.69 -33.34 41.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.9 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.98 156.44 73.85 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.582 0.706 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 120.59 7.35 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.251 . . . . 0.0 112.323 179.877 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.76 121.04 8.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.4 mt -51.71 143.13 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.23 121.95 5.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 62.32 69.52 0.61 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.855 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -135.95 126.03 26.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 -179.927 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -84.44 173.99 10.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.877 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.01 -176.79 31.63 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.511 -179.881 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 33.8 m -95.22 -62.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.858 -179.848 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 62.05 -174.72 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.975 -179.925 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -109.11 131.69 54.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.83 -66.19 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.885 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.23 -128.22 0.99 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.555 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -115.84 114.02 24.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.41 43.61 13.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.96 29.67 6.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.814 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -160.52 162.96 33.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -152.66 133.08 4.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.183 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 36.8 m -139.61 115.35 10.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 59.81 179.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.2 tp -147.3 -52.31 0.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.871 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -95.52 -76.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.857 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.7 mt 72.72 -62.28 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.132 179.871 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -50.36 -49.21 54.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.9 m -54.04 -52.57 60.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.44 -46.73 93.75 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 mp -55.89 -44.96 78.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.903 0.383 . . . . 0.0 110.968 -179.94 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -49.34 75.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.915 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.29 -54.15 47.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -55.8 -47.04 77.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.943 -179.894 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.427 ' HE2' ' HB2' ' A' ' 126' ' ' GLU . 36.7 t-80 -55.44 -42.78 74.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -31.19 68.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.834 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -70.53 -53.39 16.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 pp -63.17 -44.97 93.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -65.6 -31.75 72.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.876 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -68.78 -52.36 31.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 -179.871 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 18.4 ptm -72.33 -25.89 61.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.804 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -36.69 78.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -38.08 81.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -118.11 92.41 3.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.1 mt -149.02 178.05 9.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 179.953 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.83 -176.0 3.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.85 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.03 -51.29 67.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.819 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -72.36 -46.87 53.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.911 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -55.71 -38.27 69.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -48.33 64.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 179.914 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.0 -48.22 70.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.847 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -72.38 -37.93 68.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.78 -45.79 74.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.811 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -55.75 -45.79 77.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.7 t -66.41 -33.16 61.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.57 -51.08 60.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.968 179.942 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -63.86 -41.15 97.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -60.99 -53.32 58.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.831 -179.94 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -56.76 -54.96 40.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.9 m -54.53 -47.16 73.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.926 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.427 ' HB2' ' HE2' ' A' ' 100' ' ' HIS . 32.5 tt0 -54.45 -47.56 72.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.37 -45.26 92.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.213 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -35.21 79.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.912 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 74.7 mt -71.27 -39.75 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -46.53 78.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.883 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.8 mt -64.28 -49.17 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.96 -47.73 85.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.782 -179.925 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -59.49 -41.02 88.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -63.19 -48.77 76.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -57.51 -52.48 65.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.96 -30.22 49.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.24 179.857 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -69.2 -36.3 77.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.891 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -88.09 -20.38 25.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -82.26 -58.1 3.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.75 31.37 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.844 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 40.5 mttm 59.97 177.8 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.7 tp -175.95 143.58 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.197 179.933 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.5 m -139.54 173.99 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.223 179.826 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.2 155.24 50.62 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 121.572 0.701 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.429 ' HG2' ' H ' ' A' ' 146' ' ' THR . 54.0 Cg_endo -69.82 -87.15 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 179.846 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.429 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 0.2 OUTLIER 177.7 147.06 0.32 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.56 0.695 . . . . 0.0 111.145 -179.967 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 117.59 5.18 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.662 2.242 . . . . 0.0 112.332 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.9 tt -128.55 -38.32 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.7 m -51.97 -44.37 63.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -50.99 -43.78 60.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -59.58 -54.49 45.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 11.1 mp -51.54 -55.51 18.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -52.64 -62.79 1.42 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.886 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 65.4 p -51.34 -32.91 27.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.878 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -37.63 82.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.25 170.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 61.52 48.68 5.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.912 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.03 154.28 31.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.874 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.17 166.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.816 -179.785 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -64.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -154.51 102.68 2.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -59.58 -26.54 65.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 1.8 t90 63.05 82.39 0.18 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 63.32 161.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.93 -27.77 33.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.43 -27.22 15.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -70.12 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.949 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 94.2 m -49.12 -44.19 42.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.71 -46.06 97.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -59.73 -35.87 75.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.01 -55.37 11.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.9 pt -61.63 -35.76 69.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 14.9 mt -66.56 -50.75 62.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -58.71 -47.71 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 53.1 m -59.49 -46.21 89.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 14.7 tp -56.42 -54.16 48.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.73 -54.96 30.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.952 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -56.75 -43.99 81.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -60.71 -34.46 74.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 17.4 mt -69.29 -59.86 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.992 179.932 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -51.29 -41.53 60.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.816 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 78.6 t -66.3 -50.08 70.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 179.889 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 56.1 m -51.13 -45.91 61.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.91 -45.92 73.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.845 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -57.57 -28.38 63.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.6 -50.78 8.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.816 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 7.3 t -66.49 -16.0 63.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.63 100.64 7.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 -179.933 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -60.03 -21.13 60.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 36.8 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.164 -179.911 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.854 0.359 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -143.7 101.45 3.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.5 t -146.1 145.88 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.09 -179.957 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.73 119.11 37.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.96 -179.69 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.8 49.72 0.62 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 -179.942 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.04 132.86 51.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 110.835 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -124.23 172.18 9.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.2 t -116.98 -32.74 4.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -179.932 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -128.93 166.76 18.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 -179.929 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -153.93 38.54 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 p 53.09 -174.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.909 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.04 159.63 29.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.633 0.73 . . . . 0.0 111.086 -179.924 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 177.25 5.78 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.757 2.305 . . . . 0.0 112.298 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -153.83 52.16 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.787 179.997 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 61.68 160.81 0.11 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.566 0.698 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.72 79.36 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.738 2.292 . . . . 0.0 112.315 -179.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.7 t -88.14 -15.94 9.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 63.7 22.95 13.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.965 -179.865 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 t -87.59 159.29 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -51.5 -47.77 63.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.3 -51.45 54.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.802 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.75 -38.16 81.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.73 -54.26 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.06 -52.86 48.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.525 179.917 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.77 -41.51 93.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.539 -179.898 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -46.7 86.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 110.835 -179.908 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.2 mm -57.67 -41.96 80.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.9 p -65.83 -42.21 90.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.955 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -59.32 -55.68 31.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.794 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.9 p -60.06 -39.56 80.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mp -56.63 -48.97 76.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -67.92 -37.07 81.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -43.5 95.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.2 mt -66.39 -46.67 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.41 -43.02 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.835 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.86 -43.31 65.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.3 ttt -65.42 -31.55 72.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.08 -51.11 12.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -67.75 -28.74 67.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.96 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.82 -34.19 65.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.2 mt -55.94 -33.77 65.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.6 m -96.54 32.43 2.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 56.45 32.16 20.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.801 179.987 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.45 38.44 96.32 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.394 179.94 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -90.08 113.84 25.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.3 m -58.78 -26.78 64.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -66.46 -36.2 82.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -33.94 77.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 19.2 mtp -61.04 -31.26 70.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.761 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -116.23 26.71 9.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -91.65 -62.0 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.915 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.15 26.31 10.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.869 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -97.83 27.67 4.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.91 -27.92 7.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.09 -32.64 7.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.91 -43.15 66.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -63.28 -26.12 68.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -108.1 26.51 10.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -142.64 26.23 1.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -104.81 155.13 19.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 179.852 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.39 17.42 2.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 179.834 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.8 mp -84.03 160.32 58.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.553 0.692 . . . . 0.0 110.959 179.931 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.62 85.69 0.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.397 179.851 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -111.89 160.93 16.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.1 mt -79.3 109.18 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.943 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -119.19 39.37 3.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.979 179.91 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -127.67 174.14 9.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -128.98 -69.74 0.69 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -169.34 -173.87 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.803 179.842 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.47 114.12 2.8 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.451 -179.944 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.3 t -173.68 38.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -164.78 -66.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.869 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -74.78 -51.89 12.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.9 m -75.12 -30.94 60.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 -179.874 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.22 116.91 10.04 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -135.78 -51.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -179.726 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -74.49 -33.42 62.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -153.09 161.52 42.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -154.87 79.61 1.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 73.0 mt -111.31 -70.5 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.225 179.92 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.9 m 52.54 77.14 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.8 105.2 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.5 mp -88.31 171.17 10.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.831 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.35 -73.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.834 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.8 mt 73.62 -60.19 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 179.868 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 p -49.8 -44.06 48.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 99.8 p -60.53 -52.61 64.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.7 -51.5 58.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.429 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.5 -48.89 65.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 -179.817 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -58.1 -49.43 76.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -53.34 -49.81 66.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -57.55 -48.33 79.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.851 -179.758 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -54.23 -42.18 69.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.87 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.84 -32.4 69.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.846 -179.753 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -70.58 -51.48 28.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 pp -64.86 -45.34 86.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -64.78 -32.07 73.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -70.52 -46.89 62.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.6 ttt -72.4 -29.81 64.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.803 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -61.96 -33.76 74.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -30.88 69.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -132.58 95.23 3.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.8 mt -149.05 178.01 9.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -75.11 -176.01 2.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.993 179.778 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.18 -51.28 67.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 179.865 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -73.7 -45.98 49.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.62 -37.61 68.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.917 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -51.78 40.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.908 179.835 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.07 -47.29 65.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.4 -37.97 68.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.11 -43.77 74.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -55.58 -50.2 70.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.55 -45.25 97.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.951 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -50.92 67.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -28.94 69.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.837 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 58.2 ttm-85 -64.17 -54.64 30.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -64.84 -39.63 93.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 30.3 m -58.08 -48.88 78.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 -179.883 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -64.83 -40.0 94.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.2 m -63.67 -53.23 54.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -179.883 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.57 -33.71 75.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 20.6 mt -69.44 -37.12 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 179.774 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -70.94 -40.96 71.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.775 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 59.0 mt -66.32 -50.49 67.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -63.84 -50.1 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -58.83 -39.89 82.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.21 -50.67 69.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.09 -52.18 66.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.4 p -65.51 -27.78 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.189 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -42.76 76.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -73.73 -38.6 64.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.842 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.45 -57.96 3.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -128.15 -169.2 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 179.894 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -93.41 -178.71 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -175.64 146.45 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.83 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.2 m -138.65 122.19 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.91 86.31 0.29 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.556 0.693 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.93 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 179.917 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 178.5 148.52 0.39 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.549 0.69 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.63 -174.96 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.773 2.315 . . . . 0.0 112.354 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 14.2 tt -124.29 -34.87 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.221 179.838 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -30.08 20.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -51.08 -49.99 59.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.33 -46.57 69.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 15.6 mt -59.38 -47.53 85.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.22 -63.22 1.26 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.845 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 72.7 p -56.32 -32.97 65.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -63.94 -32.19 73.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.895 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -53.44 140.07 28.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 14.0 tp -170.84 122.54 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.43 -176.92 5.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 179.918 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.4 m -128.62 37.91 4.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.897 -179.824 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -170.33 35.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -179.937 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -108.11 103.58 12.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.2 -57.29 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.88 38.17 1.59 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -127.85 -45.67 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.947 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -28.52 68.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 179.933 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.5 -26.9 5.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.127 -179.866 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -68.85 -69.01 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.848 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 94.9 m -48.49 -46.58 38.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.134 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 36.9 mm -60.4 -46.47 95.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -62.93 -30.09 71.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -70.47 -53.14 17.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 -179.904 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 23.2 pt -63.12 -37.99 80.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.202 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.92 -57.88 4.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.869 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -31.16 65.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.007 179.809 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 88.5 p -73.34 -46.89 46.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.799 -179.832 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.8 tp -58.69 -47.43 84.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -52.8 50.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -54.91 -50.08 69.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -68.02 -29.26 68.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.27 -61.18 2.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -40.94 96.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.79 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 39.6 t -63.14 -43.5 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.864 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 31.6 m -65.84 -41.7 91.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 -179.979 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -63.58 -44.86 92.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -66.87 -39.03 87.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.823 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.53 -51.85 65.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.077 0.465 . . . . 0.0 110.899 -179.832 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 15.2 t -65.73 -24.96 67.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.2 -179.925 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -82.64 117.01 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.34 16.53 21.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.859 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.149 -179.951 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -116.37 94.44 4.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 p -93.23 147.45 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -110.68 93.63 4.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -119.44 171.73 8.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.06 -34.77 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.501 -179.957 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.37 147.47 7.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 0.0 110.847 179.935 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.17 167.66 21.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.899 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.7 t -119.74 -41.28 2.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 -179.935 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 43.86 -163.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -169.69 75.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 p 52.88 -173.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.098 -179.9 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.25 159.54 31.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.559 0.695 . . . . 0.0 111.258 179.979 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -170.97 0.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.739 2.293 . . . . 0.0 112.375 179.925 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -112.63 -25.66 9.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -158.15 153.67 22.45 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.573 0.701 . . . . 0.0 110.805 -179.907 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.64 111.66 2.84 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.701 2.267 . . . . 0.0 112.344 179.899 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.7 t -93.21 -21.69 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.826 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 63.11 16.93 9.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.6 t -91.45 168.85 11.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -50.5 -45.12 56.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.72 -51.36 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.838 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -61.61 -35.04 76.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.5 t -63.97 -54.16 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 179.963 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.2 -51.94 55.75 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.5 -40.15 95.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.378 -179.898 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -45.15 88.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.744 0.307 . . . . 0.0 110.901 -179.902 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.58 -40.95 88.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.032 179.91 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.7 p -64.78 -45.18 87.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.188 179.953 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -60.84 -55.37 33.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.7 p -59.63 -35.54 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.06 -48.5 79.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -63.19 -43.15 99.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.39 -42.87 96.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.9 mt -63.98 -46.77 93.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 179.886 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.9 t -57.34 -47.56 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.839 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.52 -40.54 95.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.1 ttt -67.56 -35.18 78.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.959 179.891 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.63 -51.15 45.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.3 -28.7 66.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.869 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -53.88 -37.3 63.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.8 mp -54.55 -37.05 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 54.1 m -95.25 38.13 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t30 56.18 29.85 15.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 59.3 40.97 96.61 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -100.9 115.06 29.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.804 0.335 . . . . 0.0 110.829 -179.848 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.1 p -54.45 -28.71 46.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -26.67 55.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.799 -179.98 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.02 -26.94 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.816 -179.841 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.5 mmm -72.46 -31.03 65.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -112.48 30.54 7.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -96.21 -74.16 0.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.96 28.7 4.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -99.15 26.35 5.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.78 -30.86 4.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 -179.994 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.76 -32.96 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.968 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.79 -37.36 71.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.012 179.818 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -54.55 -29.19 50.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.801 -179.874 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -117.37 36.47 4.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -152.34 28.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.19 134.19 44.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.4 -26.78 26.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.828 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.21 160.63 47.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.647 0.737 . . . . 0.0 110.883 179.886 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 124.47 11.14 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.856 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -127.4 149.75 49.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 18.2 pt -119.77 146.9 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.182 179.955 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -132.4 -178.03 4.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -63.89 135.28 56.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -118.49 125.21 49.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -99.22 39.07 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.796 -179.996 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.99 127.82 5.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -47.0 77.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.84 0.352 . . . . 0.0 110.865 -179.854 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -133.45 -66.23 0.66 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -170.73 160.78 7.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.8 m -76.31 130.23 37.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 -179.892 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.46 152.12 12.41 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.971 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.8 t80 62.53 67.36 0.72 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.6 148.01 47.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -168.21 -41.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -101.76 127.08 48.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 39.3 pt -91.53 166.29 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.9 m -102.81 136.33 42.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.819 179.864 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -103.95 -54.23 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.6 mt 61.84 -175.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.99 93.06 1.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.9 mt -113.79 -26.9 2.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.191 179.808 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 p -71.06 -46.59 61.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.78 -52.46 60.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.812 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.0 -47.62 88.82 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.514 179.958 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 mp -57.43 -50.99 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.955 -179.89 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -49.24 76.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.828 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -49.97 70.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -55.64 -51.7 66.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -54.28 -44.52 71.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.3 p -63.48 -37.65 88.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -66.0 -64.3 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 pp -51.0 -47.17 61.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -57.54 -51.15 70.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.9 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -57.5 -34.91 69.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.964 -179.868 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.3 ttt -74.37 -41.94 60.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.831 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -64.64 -25.82 68.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -20.57 56.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -154.71 79.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.969 179.961 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.0 mt -127.65 178.17 6.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -68.91 -175.93 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.834 179.897 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -64.07 -51.15 65.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.781 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -75.54 -46.34 32.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -55.81 -29.15 59.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.844 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -69.89 -45.42 67.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.844 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -36.6 82.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.68 -48.19 23.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 179.955 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.24 -48.55 80.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.797 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -53.69 -50.17 66.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.8 t -59.33 -44.74 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 -179.958 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -43.91 88.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -61.17 -50.02 74.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -52.82 59.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.3 -50.34 69.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.5 m -56.55 -50.43 71.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.932 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -54.79 -38.87 67.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.5 m -64.76 -54.41 31.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.87 -31.22 69.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 74.6 mt -72.99 -40.21 58.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.073 179.906 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -65.54 -45.49 83.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.6 mt -66.94 -45.95 86.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -65.62 -44.87 85.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.976 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -61.56 -42.82 99.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.773 -179.878 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.39 -54.37 37.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -55.46 -52.18 64.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 91.9 t -61.05 -47.42 93.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -51.79 -46.16 64.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.93 179.895 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.68 -23.82 49.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 179.926 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.5 tp -71.22 -57.91 4.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.22 31.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 179.917 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 15.4 mttt 63.31 170.22 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.1 tp -177.25 141.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.174 179.835 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.4 m -152.8 178.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -148.79 155.28 41.12 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.63 0.729 . . . . 0.0 110.937 179.95 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.434 ' HG2' ' H ' ' A' ' 146' ' ' THR . 53.4 Cg_endo -69.76 -87.05 0.0 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.766 2.311 . . . . 0.0 112.318 179.894 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.434 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER 177.95 148.05 0.35 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.53 0.681 . . . . 0.0 111.167 -179.898 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 163.53 37.9 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.756 2.304 . . . . 0.0 112.337 179.904 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.4 tt -131.05 -39.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -29.3 58.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -51.5 -48.9 62.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.74 -50.63 65.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.794 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 11.0 mp -56.51 -47.52 79.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.74 -63.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.896 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 36.7 p -55.59 -33.01 63.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -72.07 -26.4 62.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.788 179.991 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.48 162.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.1 tt -111.36 58.64 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 69.33 -75.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.27 -179.97 1.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.84 -179.814 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -157.34 169.86 23.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.5 -62.67 1.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -83.0 177.84 8.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.795 179.982 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 5.1 p90 -66.54 151.48 47.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -178.55 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -27.85 69.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.774 -179.951 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.9 -26.41 5.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -179.86 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -69.44 -69.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.95 179.76 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.7 m -48.59 -44.82 37.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.162 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.3 mm -63.03 -46.32 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -62.77 -32.06 73.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 179.924 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -55.16 10.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.945 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 20.3 pt -60.23 -36.02 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.34 -53.47 29.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.95 179.882 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -57.68 -46.27 84.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 179.813 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.75 -48.77 80.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.866 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 21.5 tp -54.74 -57.68 10.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -52.18 -54.4 31.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.918 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.45 -32.62 67.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -72.66 -32.26 65.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.8 mp -72.71 -52.42 15.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -44.19 97.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.831 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.28 -36.76 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.064 179.964 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 16.0 m -72.13 -29.58 64.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -76.04 -40.33 53.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.0 179.905 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -25.25 42.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 17.3 m -81.98 -48.58 11.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.6 t -56.56 -24.78 49.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -179.958 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -59.29 -176.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.35 16.83 9.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.853 -179.945 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 21.6 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 -179.934 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.754 0.312 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 57.36 86.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.868 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 p -112.85 144.5 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.064 179.979 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -117.38 140.42 49.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -122.27 168.84 11.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -149.73 -42.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.43 -179.979 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 t70 56.49 -179.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.942 0.401 . . . . 0.0 110.819 -179.965 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -121.98 172.58 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 t -72.08 -36.48 69.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -67.28 -169.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.99 20.93 5.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 t 178.86 146.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 -179.917 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.34 159.65 54.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.561 0.696 . . . . 0.0 111.149 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.68 -170.39 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.666 2.244 . . . . 0.0 112.433 179.9 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.1 -49.8 3.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 50.6 75.21 0.68 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.532 0.682 . . . . 0.0 110.821 179.953 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 82.13 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 179.967 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -87.77 -12.55 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 59.48 24.64 13.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.2 t -109.73 172.77 6.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 179.944 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.1 p -50.84 -43.86 59.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.01 -51.76 68.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.806 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -61.9 -40.81 96.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.29 -54.29 36.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.09 -52.18 50.9 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.4 -43.54 95.71 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.885 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tt -63.82 -49.41 72.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.342 . . . . 0.0 110.985 -179.938 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.4 mm -54.14 -44.29 63.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.157 179.778 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.7 p -64.88 -43.09 94.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.241 179.912 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -58.56 -55.5 34.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.917 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.5 p -60.67 -36.7 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.11 179.952 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.14 -48.25 82.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.2 t90 -66.03 -41.23 91.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -62.02 -41.52 98.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.3 mt -66.56 -48.84 79.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.9 t -56.89 -46.66 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.902 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -42.31 86.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -31.8 72.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.13 -51.17 18.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.946 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -28.88 66.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -59.01 -34.82 72.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.0 mt -55.06 -30.88 60.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.0 m -98.72 30.25 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 63.25 31.53 15.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.83 43.43 91.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 179.93 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -97.05 108.8 21.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 95.4 p -58.55 -26.3 63.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.55 -32.75 72.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 179.837 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.7 -27.91 66.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.0 mtp -59.31 -35.39 73.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -122.93 27.48 7.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -89.09 -51.58 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.49 23.71 13.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.922 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -99.24 25.85 6.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.51 -41.71 5.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.953 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.2 -32.1 14.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.23 -31.58 32.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.742 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -53.44 -30.3 39.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.962 -179.949 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -121.5 25.98 9.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -145.5 26.93 1.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.91 -61.11 1.43 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 58.63 21.9 9.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 179.832 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.6 mt -84.15 158.45 61.25 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.622 0.725 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.65 78.68 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.657 2.238 . . . . 0.0 112.421 179.792 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -123.96 150.85 44.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.4 mt -62.72 141.12 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.987 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -132.36 31.17 4.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.28 -175.6 1.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.9 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -145.15 65.43 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.04 176.82 9.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.811 179.942 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -103.87 -70.13 0.81 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 -179.923 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.3 m 61.04 93.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.33 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -160.26 33.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -151.6 163.77 38.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -65.77 171.04 4.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.02 134.61 13.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.494 179.955 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -121.93 -63.78 1.27 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.951 0.405 . . . . 0.0 110.936 -179.904 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -115.0 42.96 2.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 57.16 73.4 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -74.25 167.64 21.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.946 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -138.7 132.69 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.152 179.894 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.49 140.32 50.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.1 mp -113.36 45.23 1.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.04 98.13 5.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.875 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -80.15 -71.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.82 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.2 mt 70.98 -69.04 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.2 t -50.92 -46.44 60.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.04 -52.57 64.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.857 -179.809 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.04 -51.2 60.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.442 -179.937 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -54.13 -50.98 65.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.897 0.38 . . . . 0.0 110.937 -179.911 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -55.33 -49.54 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.95 179.822 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -56.84 17.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -53.98 -42.91 69.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.804 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -58.26 -47.87 82.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.4 p -63.35 -34.81 78.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -65.94 -64.65 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 pp -52.27 -40.25 61.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -62.08 -49.02 77.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -57.41 -45.02 85.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 -179.822 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 33.8 ttp -72.33 -26.21 61.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -29.81 64.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.922 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -59.6 -23.91 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -144.29 95.88 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.1 mt -149.06 177.54 9.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -72.14 -176.13 1.69 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.99 -51.23 65.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.831 179.918 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -70.62 -47.81 58.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.822 -179.882 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -55.68 -39.57 71.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -67.58 -43.64 80.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.91 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -57.69 -49.36 76.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -71.32 -40.65 70.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.63 -44.36 73.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 179.827 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.19 -49.58 73.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.462 ' HA ' ' CG ' ' A' ' 123' ' ' ARG . 70.6 t -63.36 -32.36 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.67 -43.81 75.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -66.13 -53.64 35.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 120' ' ' VAL . 0.8 OUTLIER -57.35 -45.45 84.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.934 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -58.63 -51.11 71.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 24.4 m -57.93 -45.95 85.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -61.22 -36.64 80.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 22.4 m -65.95 -56.18 13.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 -179.893 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.08 -32.02 70.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 64.1 mt -72.59 -38.2 58.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.83 -41.82 78.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.863 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 6.3 mt -70.17 -44.15 78.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 -179.947 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -67.48 -43.98 79.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -64.99 -44.05 90.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -62.83 -51.44 67.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.03 -51.98 67.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 98.0 t -63.72 -32.65 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -69.2 -35.04 75.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -74.9 -48.89 22.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.5 -58.04 4.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.965 -179.951 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -116.65 -169.82 1.7 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.897 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.09 143.87 34.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -175.54 144.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.954 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 7.0 m -152.75 172.19 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.079 179.908 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.2 tt -173.55 135.65 0.67 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.568 0.699 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.46 ' HG2' ' H ' ' A' ' 146' ' ' THR . 53.1 Cg_endo -69.78 -84.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.56 2.173 . . . . 0.0 112.371 179.818 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.46 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -176.19 159.39 1.79 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.521 0.677 . . . . 0.0 111.137 -179.96 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 148.36 64.94 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.296 179.905 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.9 tt -116.74 -23.32 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.2 m -51.83 -32.55 32.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -51.11 -47.94 61.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.29 -53.07 61.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.022 179.904 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.8 mp -51.91 -54.46 29.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.81 -63.76 1.04 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.875 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 51.6 p -51.34 -32.84 26.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 179.865 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.35 -35.99 68.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 179.862 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -74.69 0.17 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.52 -179.46 4.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.978 179.901 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -164.48 -43.74 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 14.0 p -137.18 -170.14 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.751 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 63.41 105.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -129.17 126.55 39.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -179.3 -48.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -142.19 170.77 15.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 71.58 -69.53 0.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -29.95 22.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.824 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.45 -26.9 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.099 -179.889 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -69.3 -68.82 0.38 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.9 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.3 m -48.34 -44.27 34.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.2 mm -63.49 -45.4 97.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.17 179.921 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -63.33 -30.65 71.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.845 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -71.5 -55.39 7.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 13.3 pt -59.11 -39.25 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.141 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.94 -48.58 65.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 179.837 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -52.11 66.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.872 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.26 -44.06 97.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.783 -179.921 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 16.5 tp -54.38 -51.19 65.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -56.08 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -52.67 -38.93 61.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -64.74 -50.88 65.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 97.8 mt -57.12 -37.11 71.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -67.55 -62.27 1.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 179.741 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 13.6 p -54.19 -31.66 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.859 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 76.5 m -71.15 -47.93 54.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.132 -179.94 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -59.25 -45.69 90.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.983 179.903 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -37.46 74.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.8 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 26.4 t -59.35 -51.47 69.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -179.739 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.0 t -65.04 -25.96 68.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 -179.865 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -79.86 -28.39 39.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.3 16.55 9.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 -179.908 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 40.7 p . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.06 -179.851 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 62.8 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.882 0.372 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -141.47 106.31 4.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.1 t -76.9 130.78 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.954 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.7 140.79 33.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.8 mtt85 -55.46 170.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.816 -179.929 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.02 22.83 0.79 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -58.02 106.69 0.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.967 0.413 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 64.65 150.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.867 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.5 t -130.44 -38.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -153.89 172.8 16.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -151.6 30.47 0.59 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 p 47.22 90.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 -179.903 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.84 159.64 32.86 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.537 0.684 . . . . 0.0 111.139 -179.913 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -171.04 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 179.898 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -108.04 46.49 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.08 74.35 2.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.656 0.741 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.62 129.08 17.11 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.431 179.915 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.9 m -114.02 -14.54 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.094 179.989 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 63.81 54.18 1.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.5 t -121.07 165.16 15.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.97 -34.06 19.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 -179.912 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.07 -48.01 63.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.855 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.4 -51.41 69.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.3 m -61.34 -44.04 97.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.98 -52.59 48.0 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.525 179.93 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.31 -38.62 96.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.929 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 tt -66.83 -38.87 87.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.71 0.29 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.1 mm -64.52 -54.71 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.054 0.454 . . . . 0.0 111.189 179.871 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.2 t -59.65 -40.58 88.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.969 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -64.86 -55.15 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.86 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -31.75 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.159 179.984 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -67.95 -48.8 64.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -62.24 -41.35 98.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.011 179.889 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -50.53 69.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.7 mt -56.29 -44.86 80.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.07 -53.2 51.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.833 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -57.93 -48.72 79.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -31.64 72.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -67.1 -51.35 55.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -72.36 -28.15 62.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.32 -34.72 61.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.07 -26.38 68.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.2 m -95.91 28.06 3.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 179.988 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 t30 61.99 28.35 17.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.93 35.92 92.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.433 179.972 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -87.41 110.49 20.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.1 -26.65 39.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.861 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -68.85 -46.18 69.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.786 179.998 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.02 -35.72 47.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.7 mtp -54.26 -31.94 54.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -130.98 32.45 4.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -80.48 -60.7 2.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.81 23.4 13.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -83.33 -27.03 30.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.33 -25.36 61.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.77 -39.35 4.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.32 70.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.044 179.796 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -54.95 -29.55 56.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -122.11 29.8 6.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -143.32 26.05 1.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.35 137.87 31.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.47 -25.97 18.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.4 mp -64.08 160.63 46.41 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.58 0.705 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 141.38 44.79 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.633 2.222 . . . . 0.0 112.354 179.861 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -148.03 133.97 19.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.0 mt -60.9 139.23 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -123.93 167.47 14.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.35 125.92 24.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -145.63 -179.73 6.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 -179.947 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.39 -64.17 1.23 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.03 -23.78 2.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 35.2 m 55.93 87.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.816 0.341 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -131.94 -179.98 5.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -58.6 117.29 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.909 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.58 -25.25 8.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.118 -179.92 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.98 37.12 4.5 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.972 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -141.86 -48.47 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -151.45 -72.55 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 60.49 90.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 -179.909 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -178.03 134.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 72.1 mt 60.46 93.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 179.973 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -156.24 28.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.848 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.76 143.0 49.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -166.85 29.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 179.82 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -141.37 -170.21 3.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 179.846 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.6 mt 70.86 -70.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.142 179.866 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.2 m -53.28 -49.6 66.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.91 -52.62 59.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.82 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.67 -47.92 85.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 179.958 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mp -55.03 -46.09 75.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -49.4 75.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.995 179.859 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.5 -50.87 72.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.808 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -55.65 -51.91 65.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.844 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -54.21 -44.9 72.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.791 -179.986 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -39.27 92.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.841 -179.759 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -64.35 -63.86 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 pp -51.79 -39.34 58.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.57 -39.35 88.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.796 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -67.08 -43.29 82.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.971 -179.881 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 8.7 ttt -74.61 -29.25 61.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -31.02 69.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -64.32 -37.0 85.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.58 93.74 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.6 mt -148.99 170.67 17.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -70.82 -176.25 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.28 -51.07 69.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.36 -45.11 41.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -55.94 -37.08 68.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.881 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -67.57 -49.48 63.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 179.82 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.23 -48.3 74.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.924 179.845 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.5 mmpp? -70.0 -39.92 75.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.94 -45.72 74.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.833 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.6 ttp85 -55.45 -50.08 70.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.05 -41.09 85.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.61 -46.73 89.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.97 -50.82 71.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -53.58 50.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.798 -179.894 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -54.0 -53.08 57.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 8.9 m -53.43 -47.5 69.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.903 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -62.81 -29.88 71.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.8 m -69.62 -56.62 6.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 -179.852 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.3 pp -60.9 -34.84 75.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 73.7 mt -69.35 -45.16 79.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.911 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -60.7 -47.8 84.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.2 mt -62.64 -52.64 57.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 -179.921 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.93 -47.95 83.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.819 -179.975 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -57.64 -41.26 81.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -63.05 -49.56 74.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -57.38 -52.15 66.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.957 -179.942 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.1 p -65.69 -29.21 46.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.906 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.32 -37.79 77.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.51 -47.83 25.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.862 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.6 tt -68.91 -58.29 4.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -117.92 -168.75 1.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.877 179.861 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.9 tttm -131.89 118.53 19.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.6 tp -174.7 127.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.145 179.9 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 4.3 m -153.7 -179.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.186 179.733 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.24 141.35 21.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.763 0.792 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -49.15 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.637 2.225 . . . . 0.0 112.379 179.881 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.15 159.34 0.96 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.594 0.711 . . . . 0.0 111.126 179.979 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -172.13 0.54 Allowed 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.727 2.285 . . . . 0.0 112.41 179.97 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.3 tt -129.27 -38.79 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.45 -30.25 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.886 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -50.55 -34.61 26.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -65.97 -46.57 77.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.73 -50.89 70.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.87 -58.04 10.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 179.888 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 71.4 p -56.92 -32.84 66.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.969 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -69.42 -39.89 77.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.843 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -52.27 143.15 15.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 7.2 tp -174.24 90.71 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -137.53 164.17 29.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.83 179.881 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 51.8 p -174.43 125.83 0.32 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -173.58 -44.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -164.06 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 179.966 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.71 126.26 36.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.937 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -104.35 -41.24 5.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.17 26.79 16.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -80.58 -27.13 37.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -26.9 12.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 -179.962 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -69.34 -70.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 95.1 m -49.15 -45.45 43.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.21 -46.52 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.919 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -62.08 -31.46 71.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -70.37 -55.26 9.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 20.0 pt -59.63 -36.05 63.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.18 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 11.8 mt -67.61 -56.15 10.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -60.45 -47.63 85.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 179.812 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 3.0 t -59.1 -45.38 91.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 19.7 tp -58.41 -55.07 39.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.008 179.86 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -52.98 -56.92 12.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.822 179.948 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -55.0 -49.12 72.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.847 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -54.63 -44.98 73.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.68 -48.59 81.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 -179.911 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -55.17 -49.83 70.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 179.814 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 39.2 t -58.52 -47.4 88.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.153 179.878 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 27.5 m -56.62 -43.64 80.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.71 -51.29 67.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.996 179.905 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -61.22 -33.62 73.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 28.4 t -67.1 -51.15 57.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.774 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.4 t -67.07 -23.88 65.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.096 -179.916 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 -81.33 -26.14 35.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 41.38 84.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.943 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.085 -179.92 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.963 0.411 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -87.48 84.02 7.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 p -72.43 146.85 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -126.57 152.95 45.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.968 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -81.46 178.18 8.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.73 -40.32 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.551 179.974 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.42 -179.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.933 0.397 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -123.4 143.44 50.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.2 t -124.82 -36.37 2.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.108 -179.857 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.11 161.95 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -179.2 89.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.3 p -64.94 158.43 25.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.126 -179.89 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -138.59 159.63 66.74 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.662 0.744 . . . . 0.0 111.022 -179.956 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -170.07 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.714 2.276 . . . . 0.0 112.303 179.959 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -95.56 30.68 2.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -113.51 74.7 2.28 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.6 0.714 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 110.96 2.67 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 -179.998 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.8 t -105.48 -6.61 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.215 179.875 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 63.96 26.9 14.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 -179.903 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.0 p -93.66 170.41 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 -179.925 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 p -51.46 -44.31 62.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 179.946 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -53.84 -51.62 63.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.76 -179.831 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -60.89 -37.8 83.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.854 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.9 t -65.93 -50.17 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.234 179.86 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.58 -51.77 56.89 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.926 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.98 -39.7 97.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.488 -179.918 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.65 -52.64 42.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.774 0.321 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.7 mt -56.07 -43.24 74.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.882 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.5 p -63.69 -44.43 93.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.219 179.962 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -58.11 -55.16 38.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.779 179.895 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.5 p -60.72 -35.41 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 179.967 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.74 -48.24 82.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 179.935 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -66.87 -41.44 87.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.854 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -60.17 -43.88 95.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.9 mt -66.46 -49.25 76.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.259 179.865 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.4 t -55.7 -42.83 71.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 179.791 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -68.57 -44.31 74.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -64.78 -32.05 73.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -73.78 -51.23 17.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.899 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -28.7 67.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -64.1 -39.34 93.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 mp -53.72 -28.24 32.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.4 35.91 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 t30 57.39 30.37 18.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.64 45.17 96.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 179.963 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -91.81 110.8 22.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.36 . . . . 0.0 110.924 -179.891 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.7 p -57.3 -29.8 64.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -72.84 -37.56 67.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.816 -179.968 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.8 t -56.4 -26.45 53.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 21.0 mtp -62.82 -43.7 98.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -116.48 35.13 4.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -86.57 -69.18 0.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.29 27.13 7.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 179.964 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -80.09 -26.14 39.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.36 -65.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.102 179.9 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.75 -42.97 94.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.22 -39.51 63.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 179.731 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -68.05 -29.31 68.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -105.78 32.14 4.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -148.6 26.09 0.94 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.67 133.45 37.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 179.953 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -75.73 -22.83 56.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.863 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.8 154.66 78.22 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.577 0.703 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 148.56 65.84 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.731 2.287 . . . . 0.0 112.353 179.838 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.96 123.73 10.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 -179.941 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.3 mt -51.68 133.51 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.951 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -94.86 -177.17 4.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.57 140.05 45.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -152.0 71.45 0.97 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.26 -76.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.807 179.84 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -144.68 178.35 22.6 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.536 -179.969 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.56 26.34 8.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 110.863 -179.888 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -91.1 -27.27 18.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -51.92 165.59 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.27 -61.72 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 -179.964 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.84 -41.96 2.8 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.579 -179.955 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 57.66 73.37 0.47 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.996 0.427 . . . . 0.0 110.955 -179.803 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -156.09 -45.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.779 -179.958 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -169.52 -49.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -139.66 -61.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.5 pt -153.51 -41.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.958 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 6.1 p -178.7 110.03 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -173.32 -170.95 0.66 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.82 171.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.934 179.893 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp 63.21 34.41 13.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.869 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 33.8 mt -119.28 -32.33 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 179.912 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.0 p -61.52 -37.9 85.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.7 m -61.41 -52.18 65.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.78 -51.23 60.25 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -49.84 73.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.943 0.401 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 21.2 mt -54.67 -49.39 70.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -48.48 75.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -58.3 -43.62 88.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.845 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -58.92 -46.27 88.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.906 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.9 m -63.91 -39.34 93.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -62.57 -63.96 1.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.4 pp -53.74 -38.3 64.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.91 -40.92 97.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 179.957 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -64.92 -52.1 58.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -66.2 -27.25 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 179.888 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -32.27 71.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.8 -45.37 92.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.897 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -122.04 94.3 4.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.1 mt -149.08 178.01 9.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -77.06 -176.03 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.854 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -65.18 -51.02 63.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -66.94 -51.78 51.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -54.78 -34.13 62.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.65 -53.08 17.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.978 179.863 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -54.24 -39.24 66.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.855 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -79.32 -33.14 43.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.949 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.49 81.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.068 179.798 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -55.59 -49.33 73.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.2 t -60.95 -41.6 89.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.55 -48.94 77.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -57.71 -54.03 51.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.992 179.888 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -53.98 -51.0 65.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.28 -51.86 65.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 9.2 m -52.84 -45.93 67.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 -179.878 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -60.31 -44.02 95.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 179.949 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.5 m -62.74 -56.04 21.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.6 -51.98 63.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 97.0 mt -57.67 -39.6 70.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.06 179.875 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.22 -48.32 82.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 51.0 mt -67.4 -52.17 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.173 179.938 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -56.57 -44.75 81.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -62.81 -48.77 77.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -49.07 69.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -60.72 -52.09 66.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 90.3 t -55.67 -55.03 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -54.16 -42.34 69.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.807 179.978 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -68.45 -29.35 67.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.862 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.4 tp -77.18 -58.0 3.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.962 -179.966 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -127.35 -75.48 0.58 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.839 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -179.82 -176.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 179.891 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.2 tp -161.77 144.01 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 179.844 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 20.5 m -131.37 -174.16 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.7 tp 60.53 107.17 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.69 0.757 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.65 -49.25 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.738 2.292 . . . . 0.0 112.295 179.89 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 178.52 147.38 0.37 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.515 0.674 . . . . 0.0 111.191 -179.857 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 175.1 8.5 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.668 2.246 . . . . 0.0 112.35 179.873 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.42 31.27 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.259 179.797 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.2 p -69.24 -28.03 65.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -50.84 -46.63 60.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -57.99 -49.87 75.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.01 179.888 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 18.2 mt -54.32 -55.92 23.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.908 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.7 -61.99 1.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.845 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 64.0 p -50.8 -32.96 21.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.73 -37.8 76.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 179.936 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -80.06 163.31 24.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.6 tp -161.65 -54.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.883 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.48 176.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.56 145.62 52.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.79 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -75.66 -174.44 2.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.038 179.896 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.1 mttt 59.3 177.32 0.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.808 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 57.63 -173.77 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 43.5 p90 -107.76 142.03 38.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.93 -51.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.883 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -58.99 -26.44 64.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.91 -25.26 19.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 -179.938 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -69.34 -70.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.86 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 11.6 m -50.31 -45.18 54.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.02 -48.71 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 179.866 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.69 -32.22 71.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 179.878 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -54.37 18.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 18.3 pt -62.95 -38.76 82.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.88 -59.27 3.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -31.79 63.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.91 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 32.8 t -70.15 -52.03 26.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.0 tp -57.27 -45.25 84.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -51.73 67.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 181' ' ' LYS . 13.2 mm-40 -58.41 -37.34 75.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.931 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -73.7 -29.43 62.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -49.29 23.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -61.66 -45.36 94.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.774 179.897 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 33.4 m -66.93 -39.38 83.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.106 179.965 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 12.0 m -66.4 -35.44 80.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 179.987 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -71.98 -48.52 44.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -68.41 -27.93 66.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 -179.971 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 30.0 t -75.31 -52.04 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.847 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.8 t -63.87 -24.93 67.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -72.06 175.95 5.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -114.95 -20.08 10.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 48.6 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.194 -179.936 . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.83 0.348 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 62.45 103.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.001 -179.845 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 86.9 t -137.48 143.48 34.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -144.25 145.33 31.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.9 mtm180 -99.6 -179.86 4.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.789 -179.862 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 129.38 -28.61 4.0 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.562 -179.897 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 40.85 55.23 3.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.761 0.315 . . . . 0.0 110.786 -179.97 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.4 t80 63.3 160.71 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.8 t -74.38 -35.59 63.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.065 -179.876 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -120.65 -170.5 2.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.747 -179.862 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -154.24 51.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 t 179.25 148.39 0.23 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 -179.862 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -138.28 159.67 67.08 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 121.625 0.726 . . . . 0.0 111.051 -179.911 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -170.87 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.728 2.285 . . . . 0.0 112.321 179.916 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -95.97 27.62 3.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 179.996 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 mtm-85 -137.46 73.9 48.27 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.542 0.687 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 122.94 9.6 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.633 2.222 . . . . 0.0 112.319 -179.992 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.9 p -82.78 -21.06 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 63.36 47.95 3.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 p -98.34 163.35 12.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.105 -179.969 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.91 -47.11 64.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.081 -179.915 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.7 m -51.56 -51.45 55.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -60.04 -38.75 83.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.0 -179.925 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.3 t -62.39 -54.4 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.961 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.12 -52.4 51.61 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.23 -40.81 94.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.451 -179.899 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -48.86 73.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.741 0.305 . . . . 0.0 110.906 -179.812 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.6 mm -56.17 -42.33 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.206 179.779 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.9 p -65.59 -44.43 86.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.246 179.842 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -58.61 -55.14 38.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.869 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.9 p -59.49 -36.2 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 58.2 t90 -64.99 -43.3 93.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -45.08 94.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.4 mt -63.17 -44.46 99.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.1 t -59.31 -46.14 92.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 179.872 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -67.68 -43.98 78.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -31.92 73.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 179.895 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -72.74 -51.21 20.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.16 -28.68 66.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 -179.916 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -53.89 -37.51 63.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.0 mt -55.16 -33.95 63.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.6 m -96.47 40.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 54.95 30.23 13.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.86 41.04 95.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.51 179.946 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -95.01 110.22 22.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 110.831 -179.841 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.3 p -55.18 -28.94 56.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.82 -179.871 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -61.55 -39.34 90.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.7 t -55.1 -29.4 57.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 7.8 mtt -65.92 -48.98 69.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -102.66 35.52 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -88.74 -60.38 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.927 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -121.15 37.96 4.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -103.89 31.07 4.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.786 -179.945 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.93 -25.45 8.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.95 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.87 -34.5 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.97 -41.0 74.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.759 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -53.82 -29.03 38.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -115.31 35.31 4.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -156.18 28.84 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.38 134.48 38.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -25.31 65.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mt -79.02 154.78 77.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 0.0 110.936 179.869 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 156.39 63.36 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.8 2.333 . . . . 0.0 112.345 179.811 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -146.91 143.7 28.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 mp -79.47 142.87 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -115.68 156.12 26.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -77.33 121.65 24.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -126.68 -174.99 3.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.96 179.98 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -127.26 -53.22 1.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.03 176.05 22.8 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.529 -179.96 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 25.3 p -157.77 34.26 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -148.92 -60.21 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.49 176.83 12.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 t -61.35 157.26 17.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.998 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.93 -109.31 2.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.893 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -159.6 141.16 12.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.878 0.37 . . . . 0.0 110.904 -179.748 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -110.03 -179.97 3.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -150.37 165.34 33.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 61.28 -177.9 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 -179.854 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.46 178.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.4 t -152.94 26.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 179.958 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.47 99.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.6 mt -131.07 28.01 4.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 53.61 86.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.808 179.732 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 78.3 mt -113.76 -24.04 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 179.885 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.6 p -66.94 -42.44 85.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -52.63 59.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.82 -179.784 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.3 -51.09 60.94 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 -179.996 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mp -52.78 -53.04 53.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.941 0.401 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -49.16 72.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -52.72 -47.8 67.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -59.84 -46.62 88.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.885 -179.841 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -54.62 -46.65 73.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.7 t -65.38 -39.47 92.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.943 -179.834 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -59.72 -64.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.929 -179.862 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.2 pp -53.74 -43.22 68.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -56.2 -43.55 78.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -65.4 -41.1 94.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.6 ttt -66.6 -35.8 81.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.407 ' HG3' ' HB1' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -51.94 -43.9 63.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.997 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -59.03 -19.94 48.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -136.16 85.8 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.3 mt -149.5 155.74 40.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.018 179.909 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -68.26 -176.03 0.69 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -64.07 -51.15 65.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.841 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -70.42 -46.37 64.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -55.9 -46.7 78.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -58.41 -48.52 80.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.83 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.63 -50.36 65.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -68.12 -36.92 80.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.407 ' HB1' ' HG3' ' A' ' 107' ' ' LYS . . . -54.96 -48.16 73.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.851 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -52.9 -49.16 66.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.6 t -61.24 -38.52 79.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -50.68 61.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -61.74 -30.03 70.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.993 179.899 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -70.28 -52.05 25.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -61.27 -39.18 89.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.9 m -65.4 -49.54 68.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.875 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -60.1 -36.57 77.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 18.7 m -67.01 -55.95 12.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 -179.856 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -33.25 69.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 41.9 mt -70.54 -43.18 78.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.891 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -64.14 -40.95 97.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 89.3 mt -66.62 -51.86 52.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -63.65 -50.19 70.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -57.38 -41.93 81.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -63.54 -47.15 82.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.55 -52.23 65.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 33.8 m -67.27 -33.54 63.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 11.9 tttp -70.0 -27.24 64.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.86 -45.58 14.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 179.813 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.18 21.27 10.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.982 179.968 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 178.59 -169.33 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.833 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.21 -171.42 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -175.66 145.99 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.857 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 24.4 m -138.38 -177.23 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.192 179.772 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.55 140.8 25.69 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.53 0.681 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -48.35 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 179.844 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.4 m 65.46 66.86 0.81 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.602 0.715 . . . . 0.0 111.205 -179.923 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.93 169.02 20.12 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.754 2.302 . . . . 0.0 112.303 -179.986 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.8 tt -118.31 -15.13 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.184 179.965 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.93 -29.4 20.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -50.91 -41.4 58.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.88 94.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.161 179.861 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.86 -57.44 9.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.5 -53.17 59.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 72.9 p -58.54 -36.29 73.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 -179.996 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.04 -32.03 73.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.4 179.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.37 179.74 6.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -111.93 108.12 17.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.2 m -137.27 -173.39 3.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.82 -179.76 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -107.78 -64.64 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -93.88 172.31 8.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.85 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -105.5 66.91 0.75 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -116.98 -28.28 6.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 78.7 mt -68.08 -32.58 73.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -64.84 -43.12 94.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.807 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.14 -26.87 12.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 -179.881 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -69.83 -69.69 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.1 m -48.77 -44.39 38.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.87 -46.32 96.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 179.848 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -61.24 -33.42 73.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -55.3 9.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.3 pt -61.12 -36.24 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.208 -179.985 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 18.6 mt -67.31 -52.32 41.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -58.03 -41.42 83.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 179.885 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 3.1 p -64.22 -47.5 79.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.0 tp -56.53 -53.49 56.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.24 -56.07 26.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 179.942 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -56.85 -30.03 63.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -76.1 -32.51 59.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.816 -179.867 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 44.3 mt -72.33 -45.68 58.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -43.0 71.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.87 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 5.4 p -66.67 -33.24 62.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.136 179.846 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 18.6 m -75.54 -42.58 52.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.198 179.995 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -64.1 -40.99 97.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 179.953 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -74.38 -47.47 33.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 32.1 t -54.83 -52.21 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.9 t -66.32 -21.55 66.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -85.23 179.43 7.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.75 16.61 21.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 -179.951 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.909 0.385 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -122.03 103.35 8.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 63.6 t -147.92 124.23 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 -179.932 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -135.93 68.67 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 54.39 -176.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.91 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.74 27.42 12.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.486 -179.889 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.2 147.14 34.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.371 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -130.06 176.61 7.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 t -123.81 -39.04 2.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 -179.921 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 44.05 -163.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.29 92.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.805 179.944 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 t -63.11 157.33 22.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.174 -179.914 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.51 159.64 70.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 111.215 179.93 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -170.17 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.68 2.253 . . . . 0.0 112.397 179.904 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -94.01 39.92 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -113.74 74.19 2.38 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.636 0.731 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.88 86.69 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.784 2.323 . . . . 0.0 112.256 -179.88 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.9 t -78.88 -11.45 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.075 179.919 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 63.76 29.83 14.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.82 -179.917 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -97.26 176.9 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 -179.981 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.05 -30.59 66.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 -179.876 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.7 m -68.95 -45.75 69.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -59.9 -51.32 70.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.1 m -61.59 -42.73 95.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.82 -52.28 53.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.44 179.986 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.42 -37.97 95.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.47 -179.938 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tt -66.41 -40.44 89.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.824 0.345 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.0 mm -64.84 -49.63 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.863 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.9 p -61.56 -44.81 96.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -62.53 -54.99 31.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -31.83 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.99 -48.83 67.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.994 179.899 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -62.52 -41.38 98.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.85 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -50.45 70.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.9 mt -57.25 -44.74 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.0 t -59.54 -57.06 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.023 179.911 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -57.9 -45.37 86.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.9 ttt -63.17 -31.85 73.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -69.67 -51.21 36.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -70.52 -28.49 64.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.997 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -53.86 -34.85 60.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.9 mp -55.3 -33.4 63.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.9 m -96.42 34.57 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.878 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 t30 62.24 26.83 16.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.06 39.09 96.1 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.538 -179.991 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -93.22 112.22 24.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.763 0.316 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.9 p -55.29 -26.85 42.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 -179.794 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.02 -47.08 81.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -27.59 38.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 30.9 mtp -65.22 -34.82 79.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.851 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -121.3 28.5 7.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -98.0 -56.17 2.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.781 -179.953 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -96.29 26.28 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.839 179.979 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -96.19 26.42 4.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.804 -179.933 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.29 -29.47 7.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.884 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.57 -38.96 3.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.56 -37.42 83.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 179.857 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -67.52 -29.06 68.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -105.22 27.1 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -139.16 26.63 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.59 133.19 49.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.75 25.74 10.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.874 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.5 mp -84.11 160.61 57.22 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.574 0.702 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 119.2 6.18 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.741 2.294 . . . . 0.0 112.299 179.909 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.92 160.36 32.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 60.5 mt -85.9 146.34 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 179.93 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -96.81 66.01 2.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.878 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.18 -75.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 54.17 90.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -133.33 65.23 1.59 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.794 179.932 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.79 152.9 0.15 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.449 -179.961 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 75.5 m -123.77 42.46 3.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 110.839 -179.932 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.2 t80 63.22 172.41 0.16 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 -179.984 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 58.49 94.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.4 p -121.38 111.52 17.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 -179.97 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 177.39 56.38 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.446 179.922 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 62.09 166.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.4 t30 57.59 48.25 14.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.61 107.26 8.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -136.46 53.19 1.93 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -117.97 175.34 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.096 179.983 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 26.7 m 58.87 80.9 0.17 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.886 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.3 mp -104.5 174.12 6.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.15 178.12 10.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -94.89 99.68 11.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 43.6 mt -115.55 -29.14 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.883 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -50.08 65.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.874 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 t -59.0 -51.98 67.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.93 -51.0 59.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.607 179.946 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 30.9 mt -54.59 -53.6 52.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.903 0.383 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.06 -49.11 67.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.4 -51.67 64.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.899 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -54.69 -49.03 71.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.986 -179.884 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -54.33 -49.72 69.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.918 179.86 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.1 m -61.22 -36.32 79.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.75 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -63.43 -64.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.835 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 pp -55.22 -35.13 64.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.006 179.91 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -66.15 -41.61 90.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.867 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -65.79 -52.14 53.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.858 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 13.1 ptm -63.77 -32.38 73.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -67.45 -25.99 66.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -59.86 -39.21 84.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.959 179.903 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -125.94 96.57 4.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.808 -179.962 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.9 mt -145.48 173.68 11.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -73.35 -175.89 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.4 -51.18 68.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.8 179.863 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -72.08 -48.01 47.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -55.92 -33.93 65.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -67.37 -46.08 74.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.939 179.818 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.49 -46.01 91.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 179.881 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -68.78 -47.4 66.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.96 -43.34 73.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 179.917 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -49.65 72.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.2 t -61.69 -43.31 96.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.2 mp -55.98 -50.19 71.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.1 tm0? -61.24 -48.16 82.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -55.56 -53.27 58.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.01 -55.21 33.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.3 m -56.25 -44.32 79.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.209 -179.958 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -53.36 53.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 97.5 m -61.7 -37.29 83.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.065 -179.816 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.09 -52.06 64.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 27.9 mt -61.06 -38.08 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.819 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -46.23 88.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.859 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 20.0 mt -63.41 -53.01 50.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.152 179.958 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -59.84 -50.02 75.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -61.7 -37.83 85.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.56 -53.4 56.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -60.87 -51.82 67.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.7 t -57.89 -40.08 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -67.01 -39.72 87.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -48.02 79.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.886 179.869 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.9 tt -74.47 -24.7 59.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.86 104.79 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.818 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -51.62 128.62 23.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.2 tp -167.48 132.54 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 5.7 m -153.04 159.54 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.866 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.53 85.99 0.3 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.567 0.699 . . . . 0.0 110.962 179.957 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.435 ' HG2' ' H ' ' A' ' 146' ' ' THR . 52.6 Cg_endo -69.86 -85.96 0.0 OUTLIER 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 179.901 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.435 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 26.7 m 61.64 68.11 1.22 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.547 0.689 . . . . 0.0 111.139 -179.955 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 102.53 1.04 Allowed 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.677 2.251 . . . . 0.0 112.378 179.942 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 1.1 tt -118.17 -28.9 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.988 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.4 p -52.15 -47.09 65.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -56.34 -49.08 75.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 179.973 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.91 -49.57 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.934 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.6 mp -56.92 -59.94 4.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 15.5 mt -53.32 -55.34 25.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.817 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 72.6 p -54.31 -33.08 58.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 -179.988 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -32.98 73.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -76.46 -43.0 41.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 179.925 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.7 tt -52.98 120.58 6.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.91 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -177.16 154.29 1.04 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 59.97 -175.19 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.802 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -55.5 -72.73 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.78 148.82 3.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.985 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -176.42 179.72 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER 60.71 175.26 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.22 107.75 18.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -71.33 -32.31 68.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -26.07 15.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.174 -179.895 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -69.75 -70.08 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.4 m -49.42 -45.21 46.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.68 -49.95 82.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.892 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -61.3 -29.59 69.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -55.49 9.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.811 -179.848 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 21.3 pt -60.39 -35.67 64.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.08 -51.62 52.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.956 179.879 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -57.01 -48.01 79.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.811 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 2.7 p -61.03 -46.63 89.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.9 tp -55.56 -48.12 75.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -54.5 45.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -54.61 -50.24 68.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.49 -34.65 74.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 4.3 mt -63.86 -61.73 2.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -44.43 68.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.83 179.807 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 77.0 t -60.97 -41.52 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.15 179.914 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 74.3 m -63.24 -44.49 95.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -179.947 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -43.82 96.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -70.24 -33.67 71.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.856 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 29.3 t -72.37 -52.14 17.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.763 -179.737 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.6 t -65.34 -16.94 64.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.935 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -83.96 117.64 23.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -111.05 -19.99 12.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.162 -179.934 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.527 0.06 0 CA-C-O 120.904 0.383 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 62.67 84.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 p -75.57 143.86 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 -179.995 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.61 128.62 36.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.21 167.18 10.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.816 -179.915 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.07 53.49 0.1 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 -179.917 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -75.7 123.33 25.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -129.67 176.18 8.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.918 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.6 t -126.07 -37.85 2.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 -179.958 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -137.48 175.72 9.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -172.0 32.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.835 -179.995 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 64.3 p -71.73 128.54 36.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.212 -179.956 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.25 159.72 69.75 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.539 0.685 . . . . 0.0 111.182 179.987 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 -170.98 0.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -96.59 32.74 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.958 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.2 mtt-85 -115.33 73.68 3.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.709 0.766 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 122.8 9.47 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.658 2.239 . . . . 0.0 112.404 179.984 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.0 m -89.16 -21.96 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.929 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 61.93 33.31 17.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.6 p -96.61 165.97 11.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.246 179.956 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.22 -33.78 42.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 m -69.05 -44.65 72.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -51.06 70.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 m -60.67 -42.14 90.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 -179.952 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.24 -53.39 46.7 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.519 179.985 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.09 -44.75 97.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.909 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.84 -44.46 96.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.9 mm -57.58 -42.52 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.8 p -66.5 -43.25 85.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -55.48 34.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.07 -39.94 79.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.17 179.912 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.99 -49.06 72.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.996 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -66.9 -38.84 86.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.69 -43.59 98.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 65.3 mt -65.42 -49.13 80.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.07 -179.973 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.2 t -55.02 -58.7 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.892 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -46.84 78.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -31.6 70.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.992 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 -71.85 -51.34 22.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -67.98 -28.92 67.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -55.13 -35.36 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.25 -29.74 70.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -96.11 32.87 1.83 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 179.908 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.82 32.38 15.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.86 44.11 98.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.441 179.869 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -100.25 113.26 25.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.824 0.345 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 85.5 p -63.04 -39.49 94.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -26.61 67.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.0 t -65.97 -26.69 67.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.1 mmm -72.85 -41.64 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -96.84 31.39 2.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -92.93 -61.64 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -99.66 30.03 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.803 179.99 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -97.72 30.5 2.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.63 -30.14 5.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.057 179.962 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.6 -38.83 3.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.78 -34.56 65.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.831 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.13 -28.71 58.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -122.63 38.97 4.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -154.05 28.68 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.951 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.5 139.6 34.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -25.46 45.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.52 154.69 78.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.687 0.756 . . . . 0.0 110.926 179.894 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 145.35 56.94 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.684 2.256 . . . . 0.0 112.411 179.826 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -148.02 118.89 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.6 mt -51.66 142.27 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.988 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.49 -37.86 6.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.23 179.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.855 -179.843 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -141.92 173.66 11.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -126.79 -60.45 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.801 179.908 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 142.13 -70.75 0.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.523 -179.856 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 34.1 m 55.59 74.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -155.87 28.92 0.37 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -101.54 172.55 6.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.29 173.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -179.899 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -132.34 25.81 3.79 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.437 179.923 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -127.02 -44.98 1.59 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.774 0.321 . . . . 0.0 110.869 -179.746 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -161.24 122.04 2.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.82 -179.958 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -109.52 27.89 9.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 53.07 -170.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -117.47 115.48 48.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.216 179.875 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 73.3 m -127.03 104.68 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.446 ' CD1' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -149.85 165.32 32.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 179.923 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -136.48 166.62 23.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.86 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -77.2 92.76 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.837 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.5 mt -103.47 -24.43 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 179.891 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -50.03 68.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.894 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.4 t -56.49 -51.9 66.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.723 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.43 -52.04 54.14 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.443 179.993 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.24 -38.67 87.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.84 0.353 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -48.91 76.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.976 179.839 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -52.38 65.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.914 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -54.81 -46.57 74.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -57.67 -49.66 75.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.812 179.941 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.8 m -61.89 -31.94 72.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.8 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -67.95 -64.29 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.4 pp -52.79 -39.79 62.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -43.59 86.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -59.61 -44.94 93.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 18.9 ttp -75.0 -28.04 60.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.841 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -66.19 -31.24 71.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -59.84 -33.88 72.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -129.62 98.21 4.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 -179.961 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.6 mt -149.06 173.99 12.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -66.42 -176.17 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.834 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -62.94 -51.16 67.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.904 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.61 -44.75 41.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -55.8 -37.21 68.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -67.31 -43.8 80.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.26 -48.51 81.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.788 179.935 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -69.7 -44.11 71.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.77 -44.12 73.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.089 179.839 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -55.88 -49.84 72.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.47 ' O ' ' HG3' ' A' ' 123' ' ' ARG . 46.2 t -63.38 -32.8 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.902 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.09 -36.5 74.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -71.39 -54.07 11.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -53.75 -44.84 70.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.892 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.444 ' N ' ' HE ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -64.31 -44.58 91.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.96 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 69.2 m -56.75 -45.0 82.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.906 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.2 -41.87 94.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.4 m -61.86 -56.01 23.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -179.894 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.88 -34.82 75.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 23.2 mt -69.76 -33.68 57.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.869 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -72.15 -41.92 66.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.9 mt -67.2 -46.95 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -65.57 -49.97 66.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -60.24 -40.35 89.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -63.19 -53.54 51.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.21 -49.01 73.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.7 t -64.03 -42.9 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -45.16 79.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -74.88 -30.61 61.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.832 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.07 -49.08 66.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -134.53 -75.64 0.46 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.785 179.925 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.59 176.54 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.7 tp -176.41 144.95 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.167 179.914 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.9 m -123.22 152.41 28.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 179.749 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -174.28 87.91 0.34 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.632 0.73 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -48.63 0.69 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 179.881 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.87 159.13 1.01 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.619 0.723 . . . . 0.0 111.116 -179.901 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 164.4 34.65 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.619 2.213 . . . . 0.0 112.327 179.967 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.5 tt -130.28 -38.91 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.9 m -51.36 -41.87 60.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.7 -47.5 63.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -63.15 -36.3 83.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.86 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 40.7 mt -62.5 -60.16 3.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 12.8 mt -56.37 -50.64 70.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 71.2 p -59.4 -33.61 71.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.53 -28.76 69.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -108.61 100.62 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 11.7 tp -141.45 143.86 34.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.957 179.884 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -139.68 -74.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.9 t -176.27 -74.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -149.64 -71.83 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 59.28 178.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -55.13 174.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -72.44 83.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 2.6 pp -111.09 -34.97 6.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 179.948 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 10.6 ptt-85 -62.06 -26.77 68.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.74 -26.64 5.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 -179.95 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.45 -69.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.859 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.0 m -48.38 -42.33 31.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.9 mm -65.99 -43.72 92.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -63.09 -34.99 78.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.923 179.918 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -55.01 10.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.86 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 20.1 pt -60.36 -35.61 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.164 179.906 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 18.1 mt -67.69 -53.48 27.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -58.55 -46.47 86.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.758 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 6.0 t -62.69 -42.21 99.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 7.0 tp -59.1 -55.79 30.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.54 -51.72 67.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -54.39 -50.14 68.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -63.73 -34.88 78.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.56 -67.25 0.44 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.891 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -43.67 63.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.777 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 19.0 t -59.66 -41.8 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 179.834 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 55.2 m -64.68 -50.82 65.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.052 -179.946 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.06 -52.37 63.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -64.98 -33.36 75.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.88 -51.48 64.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.753 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.7 t -66.72 -24.4 66.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -79.58 155.33 28.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.818 -179.948 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -59.64 -20.88 59.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.046 179.937 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.182 -179.889 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.808 0.337 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -133.15 101.18 5.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 p -108.02 149.97 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -106.33 98.84 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -68.45 166.56 16.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.59 -40.2 0.11 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.516 179.979 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.54 -179.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -113.41 166.83 11.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.7 t -125.36 -37.05 2.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -133.05 -174.91 3.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -168.34 55.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.1 p -145.68 152.98 40.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.072 -179.821 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.15 159.56 67.75 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.462 0.649 . . . . 0.0 111.131 -179.914 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -172.18 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.626 2.217 . . . . 0.0 112.283 179.917 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -103.3 -26.15 13.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.2 ptt180 -139.92 156.19 70.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.589 0.709 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 105.5 1.5 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 -179.982 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -91.99 -21.17 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 -179.984 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 63.39 26.01 14.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 t -97.59 160.67 14.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.981 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.98 -35.41 46.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.93 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 t -67.7 -43.4 80.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.859 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -62.29 -51.25 68.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 m -61.83 -39.79 84.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.888 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.46 -52.81 48.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 179.934 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.58 -35.62 92.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.89 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.2 tt -69.02 -39.34 79.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.3 mt -65.14 -49.05 81.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.149 179.865 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.7 t -62.63 -39.83 95.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -62.3 -55.35 29.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.7 p -60.2 -33.48 53.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 179.896 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -49.06 77.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -64.43 -41.96 96.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -61.04 -41.99 97.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.953 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.7 mt -64.26 -47.42 89.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 -179.952 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.8 t -58.58 -42.23 84.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 179.86 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.69 -42.29 64.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -31.61 72.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.2 ttp85 -77.13 -51.15 11.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.5 pttp -67.36 -28.65 68.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -54.13 -39.3 66.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.809 179.981 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.7 mt -56.28 -28.73 59.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.4 m -96.55 27.28 3.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.827 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.48 32.3 20.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 59.02 44.93 95.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.552 179.964 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -98.94 116.45 31.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -59.34 -31.73 69.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -64.4 -41.74 96.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.71 -26.71 64.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.6 mtp -69.35 -46.41 67.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -99.57 29.52 4.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -87.63 -53.57 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.14 23.05 14.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.805 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -98.75 29.71 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.32 -32.72 6.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.2 -26.42 7.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.37 -35.14 64.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.19 179.848 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -54.61 -27.4 39.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -121.7 35.22 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -146.29 27.35 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.826 -180.0 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.14 133.11 52.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.889 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -90.66 -24.22 20.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.805 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mp -65.43 160.66 57.5 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.671 0.748 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 129.82 18.29 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.667 2.245 . . . . 0.0 112.394 179.827 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -137.77 155.23 49.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 179.998 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 34.0 mt -104.31 129.19 57.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.203 179.966 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -87.93 -71.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -167.47 -42.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 69.33 -75.62 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.9 t70 58.04 58.16 3.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.909 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 173.07 -123.25 0.98 Allowed Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.436 -179.944 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 31.1 m 57.63 53.39 7.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.84 0.353 . . . . 0.0 110.824 -179.818 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -168.25 -48.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.805 -179.884 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.401 ' O ' ' OG1' ' A' ' 81' ' ' THR . 6.6 mt-30 -62.65 -27.26 69.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 80' ' ' GLN . 1.3 p 72.27 -54.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 -179.85 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 53.54 -135.42 41.57 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.954 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -138.27 -72.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.381 . . . . 0.0 110.9 -179.786 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -96.41 39.4 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.765 -179.898 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -173.95 -173.47 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.966 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 62.35 -176.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.8 mt 63.43 105.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 11.8 p -115.46 162.99 16.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 179.943 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.1 mp -91.46 170.18 10.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.011 179.927 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.44 124.42 49.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.96 64.18 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.812 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 57.6 mt -110.95 -23.96 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.7 p -71.06 -48.47 52.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.898 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.54 -48.4 72.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.845 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.17 -52.44 47.4 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mp -58.21 -55.5 34.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.863 0.363 . . . . 0.0 110.943 -179.878 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -47.68 67.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -54.74 -51.52 65.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -55.77 -47.0 77.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.959 -179.879 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -55.04 -48.07 73.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.809 179.94 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.1 p -62.92 -37.1 85.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -62.14 -62.95 1.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 pp -55.68 -37.14 67.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -63.2 -42.28 99.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -69.4 -37.1 77.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.878 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.2 ttp -75.22 -28.39 59.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.81 179.934 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -67.45 -28.17 67.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -59.88 -33.59 72.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -132.33 97.09 4.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 179.917 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.1 mt -148.81 178.03 9.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -176.05 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 179.811 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.09 -51.14 63.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.865 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -75.92 -42.83 47.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -55.88 -42.82 76.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -67.89 -48.04 67.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -50.05 61.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.838 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -72.71 -36.85 67.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.94 -45.52 74.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.002 179.912 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -55.52 -50.05 71.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.889 -179.859 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 78.1 t -60.39 -41.89 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -46.08 86.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -64.71 -40.66 95.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.06 -55.0 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.807 -179.938 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -37.82 86.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 86.4 m -59.88 -44.53 94.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 -179.914 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.94 -37.88 82.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 23.0 m -64.21 -56.56 13.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 -179.842 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.4 pp -61.53 -38.23 86.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 22.3 mt -65.81 -36.41 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 179.773 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -41.45 74.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 6.7 mt -64.91 -52.41 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.954 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.83 -50.27 72.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -57.94 -39.73 78.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.888 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -63.12 -51.63 65.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.76 -51.96 65.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.876 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.2 p -65.96 -28.06 42.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -39.54 78.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.21 -40.78 51.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.758 -179.945 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.02 -57.87 3.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.861 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.17 -169.71 1.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.767 179.898 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.02 -176.5 3.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -175.34 146.42 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.869 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 28.4 m -130.38 130.89 65.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 179.763 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.8 86.64 0.29 Allowed Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.576 0.703 . . . . 0.0 110.969 -179.934 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.79 -48.82 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.661 2.241 . . . . 0.0 112.281 179.952 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 178.58 148.04 0.38 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.64 0.733 . . . . 0.0 111.117 -179.932 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 175.34 8.24 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.641 2.227 . . . . 0.0 112.352 179.894 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.24 -35.17 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.001 179.953 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.6 m -51.64 -35.59 42.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -51.5 -51.02 58.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.75 -34.24 74.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.795 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 47.7 mt -63.58 -58.78 5.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.55 -50.46 71.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 60.4 p -59.18 -35.61 73.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.217 179.945 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -70.97 -28.08 64.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 179.896 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -78.1 -74.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.17 173.15 9.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.943 179.859 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -176.17 37.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.893 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.1 t -172.5 -60.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.782 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.48 178.38 8.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.39 142.29 20.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.39 167.36 20.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 3.5 p-90 -57.12 -28.71 62.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.81 -27.13 68.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -37.16 84.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.882 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.32 -26.51 12.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.907 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -69.43 -70.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 179.868 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.9 m -48.64 -45.57 38.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.219 -179.992 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.39 -47.02 95.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -61.67 -32.96 73.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 179.967 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -55.16 11.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.9 pt -60.8 -35.95 67.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 179.938 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.52 -51.74 53.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 179.853 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -58.3 -46.89 85.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.793 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 2.6 t -60.03 -45.45 92.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.0 tp -57.63 -54.99 40.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -53.44 -57.07 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.9 -50.15 69.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -55.13 -41.7 72.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.899 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 48.6 mt -63.58 -40.54 97.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -66.02 -53.54 37.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.778 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 27.0 m -60.09 -34.16 55.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.046 179.941 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 89.7 m -73.11 -37.25 66.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.99 -36.84 75.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -80.64 -31.41 36.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.792 -179.954 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 10.9 m -74.92 -49.98 18.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.9 t -52.04 -29.63 21.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.104 -179.901 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -54.84 -75.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -149.47 18.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.128 -179.916 . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.845 0.355 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -116.24 71.64 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.98 179.933 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 p -109.22 146.35 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -78.65 127.15 31.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -128.77 -179.69 5.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.06 47.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -135.98 94.71 3.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.804 0.335 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.81 165.92 15.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.9 t -115.18 -32.43 5.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 43.85 -163.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -154.19 73.36 0.92 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 p 52.99 -174.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.159 -179.901 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.6 159.64 33.48 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.621 0.724 . . . . 0.0 111.042 -179.954 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 -171.11 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.577 2.185 . . . . 0.0 112.392 179.866 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -77.11 -37.29 54.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -125.35 155.37 71.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.561 0.696 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 84.08 0.67 Allowed 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.715 2.277 . . . . 0.0 112.295 -179.989 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.55 -13.84 16.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 63.53 27.75 15.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 179.987 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.8 p -83.53 177.01 8.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.12 -33.58 74.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -43.58 78.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -50.5 71.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 m -62.33 -39.34 83.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.65 -52.87 48.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.437 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.12 -36.06 92.49 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 -179.924 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 tp -66.9 -39.25 87.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.753 0.311 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.9 mt -66.99 -52.95 38.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.878 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -57.81 -40.48 80.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 -179.98 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -64.53 -54.85 25.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.828 179.985 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.99 -31.34 45.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.102 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.97 -48.82 67.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.0 t90 -63.08 -40.85 98.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -49.56 74.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 37.9 mt -58.56 -44.14 88.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.079 -179.992 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.5 t -60.31 -47.22 93.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.845 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -66.76 -43.52 83.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.5 ttt -65.81 -32.04 73.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -72.13 -50.81 25.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.981 -179.953 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -69.95 -28.98 66.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -53.87 -33.5 56.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.975 179.926 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.0 mt -56.42 -36.3 68.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.17 29.84 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 t30 61.79 38.77 14.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 53.75 42.74 68.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -100.75 114.72 28.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.1 m -55.68 -26.79 46.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 -179.836 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.56 -29.35 66.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.802 179.999 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.65 -26.28 37.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 -179.891 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.5 mmm -74.07 -31.08 62.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -118.74 27.82 8.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.945 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -81.82 -65.85 0.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.09 40.09 1.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -95.92 26.24 4.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.04 -43.89 1.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.65 -34.02 14.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.83 -31.91 29.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.152 179.743 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -55.95 -34.05 65.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -106.01 25.51 10.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -151.12 24.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.34 -55.84 2.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 179.944 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.65 21.59 8.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.817 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.3 mt -84.1 159.37 59.85 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 179.89 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 83.53 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.756 2.304 . . . . 0.0 112.348 179.848 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -112.66 160.94 17.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.8 pt -119.75 150.23 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -130.45 42.95 3.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.871 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.12 158.21 23.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -130.57 -42.13 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.09 -31.83 11.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.87 -68.04 0.25 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 99.1 m -142.95 137.79 29.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.778 0.323 . . . . 0.0 110.985 -179.919 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -125.65 130.0 50.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.865 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.17 133.71 56.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.51 -56.92 0.84 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 -179.868 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -130.51 -176.77 14.55 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -61.65 -31.38 71.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -164.4 135.16 4.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -174.06 149.94 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -114.81 93.86 4.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.1 tt -117.03 -30.3 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 179.953 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 47.5 m -65.63 143.7 57.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.836 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.26 94.85 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 mp -125.32 148.35 48.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -101.84 -73.81 0.64 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.859 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.0 mt 71.16 -68.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.872 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.69 -50.04 55.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.9 t -54.91 -52.7 62.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.06 -50.56 66.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 -179.949 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.4 mp -52.37 -45.98 65.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -49.24 77.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -56.11 -56.34 21.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -54.05 -44.91 71.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -55.02 -50.25 69.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.7 m -62.04 -34.39 76.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -63.98 -64.41 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.1 pp -53.12 -39.83 63.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -66.39 -36.63 83.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -65.48 -52.09 55.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.813 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.5 ppp? -69.81 -27.26 64.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.856 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -66.73 -32.42 73.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -59.66 -28.69 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -136.73 96.91 3.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.5 mt -148.53 169.67 19.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -63.76 -176.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.823 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -63.66 -51.36 65.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 179.941 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -72.73 -47.19 49.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -55.69 -34.83 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -67.52 -46.16 73.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -59.85 -45.26 92.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.856 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -72.35 -34.38 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 179.916 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.9 -35.63 80.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.778 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -64.9 -50.64 65.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.9 p -64.96 -37.15 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.886 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.98 -47.58 79.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -62.52 -50.51 71.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -54.25 -53.21 56.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -57.74 -41.43 81.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 89.2 m -60.06 -43.77 95.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 -179.902 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -67.87 -33.29 74.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 28.0 m -67.86 -56.74 7.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 -179.931 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.0 pp -61.32 -39.58 91.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 45.5 mt -67.13 -37.79 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -67.66 -40.46 84.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.0 mt -66.05 -52.39 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -62.6 -50.03 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.43 -39.93 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -63.09 -50.83 69.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -56.32 -52.18 65.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.4 p -65.69 -28.77 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 180.0 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -69.09 -39.63 78.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.97 -38.79 57.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.809 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.95 -57.94 3.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.882 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -122.37 -169.88 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -99.31 178.88 4.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -175.6 146.22 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.145 179.9 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 12.1 m -130.54 119.1 45.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.91 87.23 0.29 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.93 179.924 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 -48.59 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.713 2.275 . . . . 0.0 112.359 179.82 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 179.4 147.45 0.42 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.685 0.755 . . . . 0.0 111.135 -179.937 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -176.95 1.66 Allowed 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.573 2.182 . . . . 0.0 112.388 179.904 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.8 tt -118.09 -15.02 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.949 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 12.7 m -51.07 -31.17 17.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.93 -50.86 60.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.14 90.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.061 179.91 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.91 -64.98 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 8.5 mt -52.74 -52.79 54.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 67.5 p -56.44 -32.89 65.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.169 179.987 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -71.39 -41.95 69.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.789 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -95.84 103.9 15.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.3 tp -118.34 -54.98 2.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.3 -75.4 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 65.7 m 56.77 35.91 26.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.737 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -154.34 98.99 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 57.88 63.34 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -144.89 116.94 8.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -134.4 29.59 3.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.8 mt -107.28 25.6 11.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.97 -26.85 33.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.68 -26.64 5.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 -179.932 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -69.56 -68.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 179.924 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.0 m -48.37 -45.83 36.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 -179.988 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.2 mm -61.96 -48.28 89.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -62.24 -29.37 70.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.05 -55.27 8.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 18.5 pt -59.4 -36.79 66.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.072 -179.966 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 1.1 tp -67.35 -53.41 29.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp -54.76 -46.57 74.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 6.3 p -61.34 -50.66 72.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.991 0.424 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.1 tp -52.49 -50.65 62.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -57.47 -56.84 16.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.39 -29.86 62.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -74.88 -35.35 62.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 5.4 mt -70.44 -46.87 63.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -46.43 76.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.957 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 9.2 p -64.36 -33.99 66.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.136 179.829 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 17.3 m -72.36 -40.99 66.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.98 -40.7 87.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.69 -32.66 60.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.839 179.928 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 28.0 t -67.7 -51.17 52.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.74 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.3 t -55.7 -25.18 38.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.073 -179.972 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -69.21 -38.13 78.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 -179.958 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 41.33 84.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.841 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.225 179.979 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 27.7 m . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -110.56 97.06 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 p -72.33 133.36 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.82 144.0 49.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.819 -179.87 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -143.51 176.37 9.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.62 27.82 18.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 -179.971 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -118.56 92.41 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -126.74 177.38 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.0 t -126.38 -37.7 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 -179.883 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -141.32 -170.5 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -169.14 35.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.9 p -135.43 161.5 35.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.852 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.15 159.58 68.23 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.58 0.705 . . . . 0.0 111.204 179.995 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -171.2 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.721 2.281 . . . . 0.0 112.341 -179.993 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -95.91 -25.65 15.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.23 156.9 73.53 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.718 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 107.05 1.78 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.688 2.259 . . . . 0.0 112.335 -179.944 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.22 -21.57 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.074 179.975 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 63.46 21.57 12.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.0 t -98.21 166.01 11.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.207 179.972 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.25 -34.02 30.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -67.73 -42.26 82.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.808 -179.839 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -50.99 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.0 m -61.87 -39.84 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.02 -52.94 46.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 179.978 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.32 -36.34 93.28 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.515 -179.936 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 tt -69.54 -36.38 76.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.7 mt -67.05 -46.58 84.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.852 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.7 t -67.12 -39.18 86.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 179.971 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -63.54 -55.64 22.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.9 p -60.73 -36.16 69.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mp -60.56 -49.09 78.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -64.1 -42.9 96.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 179.841 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -60.32 -42.83 96.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.6 mt -63.41 -46.84 94.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.4 t -58.8 -43.18 87.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.172 179.836 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.48 -42.54 67.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.794 -179.964 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.9 ttt -65.74 -31.71 72.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.817 -179.967 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.67 -51.18 13.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.857 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -28.77 67.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -55.76 -35.39 66.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.921 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.3 mt -54.88 -30.14 57.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.36 32.82 2.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.908 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 57.8 30.13 18.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.5 45.94 95.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.417 179.915 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -90.08 109.16 20.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 m -52.64 -41.16 63.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.803 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.9 -37.93 89.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.4 t -59.04 -26.24 64.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 -179.929 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 40.6 mtp -66.78 -51.77 51.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -97.07 25.95 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -84.17 -52.87 5.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -102.83 31.29 4.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.86 25.95 4.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.46 -35.87 3.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 179.911 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.66 -26.89 13.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.955 179.97 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.5 -32.67 58.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.829 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -55.3 -26.58 41.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.05 25.91 10.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.812 -179.892 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -139.81 25.82 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.2 mt -104.31 -66.83 0.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 58.67 21.93 9.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.872 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 mp -83.97 160.85 57.09 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.528 0.68 . . . . 0.0 110.945 179.889 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 79.51 0.95 Allowed 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.621 2.214 . . . . 0.0 112.338 179.858 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -111.72 161.04 16.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.4 mt -72.5 143.94 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.061 -179.972 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -156.84 32.46 0.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.95 -178.68 5.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.818 -179.885 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -141.44 -177.73 5.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.0 -76.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.51 -148.98 23.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.489 -179.951 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 33.4 m -90.6 -45.19 9.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.899 0.38 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.6 t80 72.17 -69.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.843 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -175.56 57.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 57.48 -177.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 -179.961 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -163.4 -87.73 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.401 -179.996 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -143.03 -55.06 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.923 -179.771 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.92 -37.97 19.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 63.19 44.21 5.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -125.77 43.55 3.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.1 pt -143.32 44.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.103 179.957 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 68.2 m -129.55 83.23 2.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.34 174.18 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.2 mt -102.27 77.21 1.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.856 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.98 174.68 5.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.792 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.0 mt 71.08 -69.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.0 p -53.04 -50.28 64.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.813 -179.937 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 m -58.7 -52.43 65.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.35 -44.32 95.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.946 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.6 mp -59.62 -45.12 92.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.348 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -49.09 78.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -56.8 -55.28 36.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -54.0 -46.15 71.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.955 -179.829 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -55.48 -49.24 73.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.5 m -62.24 -35.44 78.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 -179.863 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -63.59 -63.47 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 pp -55.67 -37.19 67.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.89 -38.97 90.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.918 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -67.12 -52.09 45.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -67.21 -28.21 67.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.852 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.08 -33.74 71.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -62.96 -35.27 79.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.881 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -121.35 93.96 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.931 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.4 mt -149.14 170.24 18.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -68.85 -176.32 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.941 179.853 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.95 -51.19 67.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.801 179.915 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -76.02 -43.14 45.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.876 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -55.8 -39.55 71.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 179.842 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -68.3 -46.8 69.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.013 179.747 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.17 -47.55 75.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 179.834 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -38.59 65.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.95 -47.0 75.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.794 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -55.48 -50.2 70.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.44 -40.45 81.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.201 179.951 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -48.61 81.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.96 179.905 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.1 -36.27 83.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.974 179.887 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -62.45 -54.38 40.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.13 -38.6 86.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.849 179.914 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 44.5 m -61.18 -49.7 76.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.249 -179.94 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -59.6 -46.92 87.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 88.4 m -58.08 -55.51 34.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.892 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.97 -52.24 66.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.961 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 61.8 mt -54.15 -35.2 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.161 179.807 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -71.25 -39.15 71.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.874 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 9.4 mt -63.73 -52.35 58.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -64.83 -50.09 68.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -56.65 -40.68 75.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -65.46 -50.54 64.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -54.67 -52.12 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.08 -30.63 50.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.078 -179.965 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -63.67 -45.16 91.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -79.23 -30.47 43.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.842 179.836 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.8 mp -63.78 -52.21 61.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -134.97 -75.23 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.831 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.31 -169.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.0 tp -174.14 145.09 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.5 m -148.2 161.39 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -179.09 137.5 0.32 Allowed Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.542 0.687 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.446 ' HG2' ' H ' ' A' ' 146' ' ' THR . 53.0 Cg_endo -69.76 -86.25 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.71 2.273 . . . . 0.0 112.364 179.842 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.446 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 0.1 OUTLIER 178.93 147.31 0.39 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.624 0.726 . . . . 0.0 111.133 179.997 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 135.27 30.1 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.686 2.258 . . . . 0.0 112.352 179.902 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 4.6 pt -118.74 -30.26 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.09 -41.67 62.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.813 -179.894 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -51.74 -49.8 61.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -52.21 -52.88 49.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.854 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.7 mp -54.81 -49.98 69.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.84 -63.05 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.891 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 43.1 p -51.38 -37.25 47.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.896 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -62.57 -38.83 91.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.09 -72.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -174.08 173.57 3.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.89 165.36 11.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.97 179.877 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 66.4 m 55.56 36.07 26.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.808 -179.888 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 58.7 -175.61 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 4.2 tttt 61.76 172.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.937 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -150.96 52.0 0.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -141.72 152.08 43.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 59.59 77.92 0.29 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.96 -179.946 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -25.9 59.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.75 -26.38 5.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -179.895 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.67 -69.03 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.852 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.4 m -48.46 -45.92 37.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 37.8 mm -61.47 -50.94 78.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -61.81 -28.11 69.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -70.65 -55.34 8.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 19.3 pt -61.27 -36.4 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.068 -179.967 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.29 -52.46 40.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -56.01 -50.26 71.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.839 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.35 -43.4 96.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 -179.82 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.5 tp -55.88 -57.78 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.43 -55.77 25.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -52.95 -45.48 67.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.857 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -56.49 -47.21 79.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 73.2 mt -61.53 -38.57 87.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -61.65 -60.18 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.831 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 6.6 p -56.5 -38.48 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.898 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 78.9 m -59.61 -51.0 71.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 -179.932 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 6.6 tp -63.97 -36.53 84.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.924 179.917 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -68.44 -32.18 72.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 11.5 t -74.43 -52.08 13.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 6.1 t -55.65 -28.6 56.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -69.71 -33.96 73.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.964 179.951 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 41.45 85.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 10.0 p . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 -179.927 . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.867 0.365 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -156.29 101.2 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.3 t -80.61 145.9 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.35 136.22 38.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.974 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.03 -179.94 3.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.72 56.62 0.47 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.533 -179.945 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.01 -179.99 7.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.812 0.339 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.3 t80 63.26 160.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 t -124.4 -35.93 2.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 -179.875 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 63.22 162.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -172.26 88.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.1 t -135.2 155.69 50.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 -179.849 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.84 159.61 60.08 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.606 0.717 . . . . 0.0 111.157 179.982 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 177.31 5.7 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.666 2.244 . . . . 0.0 112.334 179.969 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -155.18 47.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 61.31 160.42 0.11 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.573 0.701 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 88.13 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.664 2.243 . . . . 0.0 112.382 179.955 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.5 t -88.75 -16.49 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 61.08 23.04 13.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 -179.901 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -103.84 170.82 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.96 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.64 -36.06 44.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.097 -179.983 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 m -68.46 -43.13 77.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -50.66 70.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.1 m -61.53 -40.65 87.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.24 -53.08 47.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.999 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.87 -39.14 97.64 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.498 -179.919 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.8 tt -64.94 -44.72 88.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 110.943 -179.92 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.26 -42.74 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.842 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.4 p -63.97 -46.43 84.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -58.6 -55.48 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.7 p -59.88 -35.02 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 -179.967 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 mp -60.28 -48.97 79.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -65.19 -42.6 93.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.875 179.891 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.27 -40.71 98.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.9 mt -64.06 -46.83 92.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.958 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.1 t -60.49 -45.98 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 179.828 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -42.19 79.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.8 ttt -66.64 -31.81 72.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 179.909 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -74.71 -50.49 17.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.826 -179.854 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -28.8 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.99 -35.27 61.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 -179.952 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.8 mp -58.6 -31.23 67.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.6 m -95.98 32.28 1.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t30 58.27 26.63 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.985 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.7 37.86 85.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 179.901 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -90.73 109.59 20.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.82 -179.819 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.0 t -56.76 -28.15 60.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -68.52 -33.21 73.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.826 -179.99 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.81 -27.05 69.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.907 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.8 mtp -64.34 -49.19 72.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -110.38 32.13 5.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.824 -179.989 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -71.56 -52.23 19.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.31 26.33 8.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -74.06 -26.55 60.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 179.999 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.95 -26.31 35.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.87 -38.77 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.957 -179.976 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.95 -28.45 67.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.094 179.739 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.68 -29.79 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -123.28 31.94 5.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -135.34 26.24 3.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.08 133.09 48.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -26.19 23.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 179.76 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.9 mp -64.02 160.69 45.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.634 0.73 . . . . 0.0 110.973 179.841 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.71 139.05 39.45 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.399 179.83 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.79 138.96 23.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 58.5 mt -91.4 119.09 38.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -116.97 -42.91 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 179.882 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.85 170.12 8.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -154.47 42.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.804 179.975 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -74.78 -51.74 13.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.846 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.3 164.98 29.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.546 -179.988 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.1 m -58.52 -29.47 66.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.9 t80 72.29 -69.15 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -93.1 174.47 7.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.958 179.957 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.1 m 63.65 94.96 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 -179.921 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 165.7 88.29 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.559 179.956 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -116.49 -72.79 0.67 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.974 0.416 . . . . 0.0 110.95 -179.795 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -73.04 -31.58 64.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.947 179.934 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.71 168.49 15.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -72.08 -51.82 19.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 21.5 mt 66.14 145.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 29.0 m 61.12 92.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mt -109.68 170.29 8.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -116.14 164.81 13.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.978 179.821 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.88 97.23 11.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.829 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.9 mt -119.3 -35.4 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.156 179.909 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -50.11 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.9 p -54.15 -52.04 62.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.72 -50.91 62.36 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.574 179.953 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.32 -54.0 46.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -49.14 71.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -54.11 -49.88 68.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -56.55 -49.12 75.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.795 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.43 ' HE2' ' HB2' ' A' ' 126' ' ' GLU . 34.5 t-80 -54.18 -49.25 69.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.833 179.962 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.3 m -61.86 -36.67 81.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.761 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -62.85 -64.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 -179.915 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.4 pp -54.01 -38.23 64.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.17 -33.74 75.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -69.21 -52.09 31.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.959 -179.897 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -67.93 -31.54 71.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.97 -28.42 69.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.824 179.99 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -60.2 -40.13 89.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.946 179.924 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -129.18 99.16 5.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.2 mt -145.42 177.91 8.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -78.28 -175.84 4.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.855 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -51.5 67.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.809 179.949 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -71.72 -48.61 45.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.862 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -55.49 -32.88 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -67.18 -50.51 60.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.881 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -57.84 -43.15 85.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.5 mmpp? -70.4 -36.58 74.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.951 179.885 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.92 82.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -49.77 75.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 4.5 p -69.72 -31.61 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 -179.991 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -52.55 35.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -66.18 -33.78 76.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.2 mtp85 -66.6 -53.09 38.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -58.16 -54.54 45.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.89 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.1 m -56.72 -44.69 81.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 -179.905 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.43 ' HB2' ' HE2' ' A' ' 100' ' ' HIS . 57.5 tt0 -53.94 -53.64 50.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.949 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 98.5 m -60.91 -36.4 79.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 -179.964 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.29 -51.99 60.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 30.4 mt -59.54 -37.21 69.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -65.42 -45.49 83.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.88 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 19.0 mt -62.55 -53.07 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -58.62 -49.98 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -57.7 -41.56 81.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -66.3 -36.73 83.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 179.957 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.58 -52.05 43.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.97 -35.71 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.08 -179.982 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -68.94 -40.26 79.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -78.34 -26.01 46.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 179.944 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.0 tp -77.69 -50.51 12.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -135.06 -74.78 0.46 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.804 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -179.06 -176.18 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.4 tp -166.76 141.61 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 13.8 m -140.39 158.45 25.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.842 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -178.89 137.38 0.33 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.508 0.67 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.45 ' HG2' ' H ' ' A' ' 146' ' ' THR . 53.9 Cg_endo -69.61 -85.64 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.72 2.28 . . . . 0.0 112.421 179.814 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.45 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 0.1 OUTLIER 179.53 147.62 0.43 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.718 . . . . 0.0 111.146 -179.97 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.88 132.39 23.05 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 179.946 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 16.8 tt -116.45 -23.95 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.941 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.05 -38.77 58.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -51.37 -47.02 62.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.721 -179.908 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.69 -55.1 36.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 179.935 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.7 mp -51.76 -51.36 56.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.57 -64.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 179.903 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 73.2 p -51.7 -32.9 31.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -55.34 -32.47 62.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.15 107.09 15.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.85 109.84 1.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -156.07 -58.98 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 14.6 p -122.51 159.42 27.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.846 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -134.61 94.75 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.826 -179.859 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 162' ' ' GLU . 9.6 pttp -144.44 31.84 1.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.927 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 161' ' ' LYS . 18.8 pm0 44.79 -167.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.781 179.987 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 61.48 35.21 17.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.39 -62.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -71.76 -26.72 62.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 1.8 m -50.61 -27.6 7.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.187 -179.895 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -69.61 -69.39 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.3 m -49.25 -34.25 14.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.889 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -68.09 -52.37 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.0 -25.23 67.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -54.11 9.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 18.6 pt -63.65 -36.52 76.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.8 -53.79 24.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 179.866 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -56.64 -46.15 81.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.942 179.82 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 35.8 m -61.75 -46.74 88.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.5 tp -55.17 -54.6 41.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -55.77 -55.59 30.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -52.83 -46.54 67.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -61.8 -40.75 96.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 24.6 mt -62.45 -38.32 89.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 12.5 mtpp -68.96 -57.38 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.863 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 27.4 m -54.73 -36.11 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.846 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 93.0 m -69.41 -56.94 6.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 -179.92 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -52.37 -37.11 55.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -76.5 -53.94 7.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.877 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 9.6 t -52.78 -52.06 58.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.6 t -62.25 -24.82 67.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 -179.928 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 25.8 mtp85 -83.65 149.86 26.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.81 -179.903 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -179.32 101.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.058 -179.824 . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.807 0.337 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -94.18 89.4 5.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.7 p -56.82 147.68 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.24 117.53 30.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -114.07 179.92 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.885 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.11 51.96 0.8 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.549 -179.933 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -112.74 165.01 12.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.828 0.347 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.5 -171.0 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.4 t -119.44 -31.02 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 -179.874 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -129.15 152.39 48.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -176.74 49.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.0 p -76.24 157.91 32.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 -179.867 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.99 159.51 68.21 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.537 0.684 . . . . 0.0 111.185 -179.892 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -171.49 0.47 Allowed 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 179.936 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -97.79 26.28 5.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -120.27 73.74 21.11 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.545 0.688 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 125.67 12.43 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.698 2.265 . . . . 0.0 112.286 -179.983 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.2 m -103.92 -13.86 8.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 63.49 42.72 6.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.912 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.0 p -101.23 164.75 11.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.195 -179.968 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.2 p -51.79 -46.42 64.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -51.49 56.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 -179.777 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -40.62 92.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.94 -54.11 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 179.949 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.2 -52.24 50.74 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.494 179.922 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.77 -40.39 94.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.509 -179.894 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -37.36 84.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.793 0.33 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.0 mm -63.99 -52.28 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.167 179.878 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.8 t -62.21 -39.65 93.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -66.4 -55.6 15.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.7 p -60.77 -32.42 51.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.997 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.2 mt -66.81 -48.42 69.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -62.88 -42.3 99.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 179.852 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -60.96 -50.55 72.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.7 mt -57.32 -48.64 82.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.097 -179.975 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.8 t -55.07 -58.64 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.055 179.913 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -53.28 -40.07 64.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.7 ttp -67.19 -32.19 73.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.1 ttp85 -71.01 -51.21 26.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.876 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -71.01 -28.71 64.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.99 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -54.94 -40.94 70.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.7 mp -53.85 -28.44 35.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 91.8 m -98.94 34.94 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.15 27.66 16.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.99 37.1 73.64 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -95.84 104.54 16.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.83 0.348 . . . . 0.0 110.955 -179.933 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 p -56.4 -26.77 54.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.853 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -65.31 -33.75 76.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 -179.969 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.89 -28.94 66.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.3 mmm -72.92 -31.48 64.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -110.48 26.39 10.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -102.31 -50.94 3.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -104.52 30.21 5.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 179.903 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.02 28.03 3.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.38 -32.41 4.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.82 -26.03 10.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.01 -30.34 64.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.783 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -55.91 -25.84 44.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -111.1 26.97 10.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -136.5 25.36 3.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.95 179.931 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.0 mt -120.95 -71.45 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.0 179.888 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 58.23 23.43 10.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.797 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.71 160.39 66.92 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.67 0.748 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 100.48 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.262 . . . . 0.0 112.363 179.83 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -147.6 147.99 30.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.6 mp -57.82 139.34 17.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -107.96 -70.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.92 -65.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.815 -179.923 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 56.29 90.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -86.3 143.31 27.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.05 95.94 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.932 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.17 -45.13 7.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.33 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -108.43 -30.21 8.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 -179.873 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.37 168.8 2.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.845 -179.974 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.3 m 62.91 86.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 -179.93 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -96.92 85.02 0.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.504 179.917 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -156.26 -58.78 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.0 0.429 . . . . 0.0 110.969 -179.823 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -93.43 -36.49 12.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 54.6 81.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -95.26 -29.35 14.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 24.9 mt 65.45 151.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 77.7 m -67.67 -60.2 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.877 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 61.3 93.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.958 179.986 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -111.3 154.03 25.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -94.29 -73.14 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.993 179.76 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.2 mt 71.05 -68.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 63.5 p -50.34 -39.25 45.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.962 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.7 m -53.88 -52.47 60.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.83 -44.73 95.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -180.0 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 55.4 mt -51.83 -54.18 31.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -49.41 77.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -52.99 -51.54 61.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -60.21 -43.15 96.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.823 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -53.78 -50.38 66.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.796 179.959 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.6 p -66.14 -38.83 89.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.749 -179.683 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -57.41 -64.01 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.831 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.2 pp -55.77 -45.44 78.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.53 -33.58 66.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -72.89 -52.32 15.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.4 ptm -62.92 -29.43 70.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.446 ' HG3' ' HB3' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -50.42 -52.75 34.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 179.885 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.47 -19.31 46.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -124.86 78.99 1.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.2 mt -149.82 163.21 38.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -77.34 -177.06 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 179.905 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -51.2 69.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.779 179.974 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -69.59 -48.75 59.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm -55.92 -42.99 76.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.9 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -58.62 -48.08 82.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.845 179.881 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -50.27 73.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.924 179.824 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -63.5 -43.86 96.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.446 ' HB3' ' HG3' ' A' ' 107' ' ' LYS . . . -54.88 -44.49 74.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 179.856 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -52.99 -49.46 66.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.56 -40.78 89.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.989 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.75 -50.08 72.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -57.87 -51.15 70.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -53.54 -53.61 49.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -57.32 -44.41 84.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 24.6 m -61.41 -45.92 92.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.885 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -60.79 -35.89 77.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.952 179.963 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 61.4 m -67.81 -56.73 8.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.178 -179.941 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.21 -34.17 70.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 179.989 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 50.2 mt -71.57 -41.32 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.17 179.928 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -62.17 -44.27 96.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.801 179.838 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 5.8 mt -67.27 -53.47 32.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.177 179.986 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -59.2 -50.1 75.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -60.84 -38.1 84.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -59.7 -55.16 37.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -62.1 -52.19 64.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 86.3 t -55.35 -44.12 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -63.27 -40.96 98.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 179.867 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -67.41 -28.68 68.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.797 179.891 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -4.76 42.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 11.3 t60 67.43 37.16 3.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.798 179.865 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -138.5 64.59 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.03 143.84 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 28.9 m -123.33 170.04 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.13 91.61 44.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.607 0.718 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -44.52 2.03 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.684 2.256 . . . . 0.0 112.327 179.896 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.1 m 65.69 81.81 0.21 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.599 0.714 . . . . 0.0 111.052 179.99 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 152.89 69.39 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.831 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 21.0 tt -119.28 -12.21 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 179.921 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.15 -47.41 45.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -52.83 -45.01 67.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.44 -48.67 76.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.098 179.843 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.82 -47.86 81.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 1.2 mp -56.87 -63.36 1.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -32.0 51.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.074 179.904 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.74 -40.35 54.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -179.19 -48.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 179.912 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 22.5 tp 62.48 162.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -53.21 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 14.5 m 51.1 31.03 6.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.83 103.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.881 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.6 mttp 63.03 162.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 51.89 86.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 8.4 m-90 62.17 102.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -71.0 170.78 12.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -51.73 -40.58 60.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 -179.976 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -26.53 24.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 -179.977 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -69.46 -69.58 0.33 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 179.882 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 89.3 m -49.03 -44.37 41.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 -179.987 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.53 -45.59 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -63.45 -31.23 72.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -70.81 -55.49 8.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.903 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 13.4 pt -58.68 -39.1 75.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.87 -48.9 67.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -47.39 78.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 179.846 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.73 -43.36 99.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 23.6 tp -56.07 -50.02 72.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.09 -56.84 16.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -47.51 67.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -55.98 -49.48 73.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 3.0 mp -54.78 -52.46 62.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -52.74 -54.12 38.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.812 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 66.4 t -60.42 -39.02 79.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 92.7 m -58.14 -43.47 87.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.3 tp -69.29 -54.52 14.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -20.72 59.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.2 m -82.21 -47.95 11.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.8 t -66.4 -26.69 67.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.15 -179.921 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -69.79 -36.57 75.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 41.45 84.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.253 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.8 0.333 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 63.64 25.11 14.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -105.64 167.13 9.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.71 -34.88 40.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.3 p -68.74 -45.38 71.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -60.72 -51.37 69.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 31' ' ' GLY . 19.1 m -61.17 -43.24 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.419 ' N ' HG23 ' A' ' 30' ' ' VAL . . . -57.89 -52.22 53.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.67 -37.67 95.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.391 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.614 HD21 ' O ' ' A' ' 124' ' ' ASP . 1.2 tt -67.34 -34.76 78.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 110.971 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.667 HG21 ' HG ' ' A' ' 184' ' ' LEU . 17.5 mm -69.6 -49.22 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 t -63.37 -39.54 94.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -65.79 -55.65 16.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.479 HG22 HD11 ' A' ' 41' ' ' ILE . 9.2 p -60.22 -32.74 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.606 ' O ' HG23 ' A' ' 42' ' ' VAL . 12.3 mt -66.28 -48.96 68.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -62.06 -43.58 98.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.457 ' HB3' HD11 ' A' ' 121' ' ' LEU . 0.7 OUTLIER -60.92 -47.85 84.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.479 HD11 HG22 ' A' ' 37' ' ' VAL . 43.6 mt -57.98 -46.49 87.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 38' ' ' LEU . 88.6 t -57.94 -54.57 30.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.13 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -59.52 -44.7 93.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.5 ttt -63.76 -31.63 72.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -51.23 34.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.809 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.2 pttt -70.66 -28.21 64.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.77 -37.64 66.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.561 HD12 ' HE3' ' A' ' 114' ' ' LYS . 9.4 mp -53.98 -32.16 53.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.0 m -95.93 32.23 1.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 t30 60.66 26.19 15.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.71 42.89 97.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -95.12 113.89 25.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.6 p -55.61 -27.09 47.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.39 -40.95 89.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.84 -38.8 92.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 65.3 mtp -58.98 -33.38 70.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -117.72 28.81 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -83.05 -62.17 1.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.56 28.84 5.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -96.36 31.91 2.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.78 -30.55 5.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.0 -38.8 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.05 -36.33 60.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.081 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -56.19 -26.25 50.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -124.45 38.91 4.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -155.71 32.28 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.7 141.69 28.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -79.94 -25.95 40.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mt -80.17 154.89 74.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.526 0.679 . . . . 0.0 110.949 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo . . . . . 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.343 179.862 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.733 0.302 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.3 mt -111.65 -31.07 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 41.6 m -59.97 -41.34 91.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.7 t -60.45 -51.96 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.41 -52.65 50.42 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.924 HD12 HD11 ' A' ' 129' ' ' ILE . 1.0 OUTLIER -63.26 -34.24 77.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.2 tp -65.03 -49.32 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.973 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -62.01 -52.16 65.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.662 ' HB3' HD13 ' A' ' 176' ' ' LEU . 21.0 m-85 -56.02 -44.6 78.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.448 ' HA ' HD21 ' A' ' 103' ' ' LEU . 37.9 t-80 -61.62 -41.93 98.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.7 -29.04 67.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.799 ' HB3' HD12 ' A' ' 172' ' ' ILE . 14.3 m-85 -72.37 -54.42 9.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.2 pp -61.91 -43.41 98.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.548 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.5 pp20? -67.44 -32.9 74.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.646 ' CE1' HG22 ' A' ' 154' ' ' THR . 12.1 t80 -66.87 -51.27 57.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.414 ' SD ' HG23 ' A' ' 169' ' ' ILE . 4.2 ptt? -73.25 -26.03 60.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.818 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.63 ' HA ' HD12 ' A' ' 110' ' ' LEU . 4.0 tmtt? -55.91 -41.29 74.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -59.7 -37.65 79.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -109.7 74.24 0.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.653 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.7 mt -142.02 177.97 7.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.961 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -78.17 -175.94 4.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.24 -51.28 66.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -69.37 -48.49 61.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.653 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.9 mmtm -55.87 -39.41 71.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.795 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -69.08 -45.2 70.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.45 -49.91 71.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -38.6 71.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.74 -44.74 73.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.183 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.49 -49.85 71.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.61 -41.13 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.457 HD11 ' HB3' ' A' ' 40' ' ' GLU . 2.8 mp -58.62 -50.07 75.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.06 -47.76 84.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -53.85 -53.28 54.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.614 ' O ' HD21 ' A' ' 33' ' ' LEU . 6.9 m-20 -56.35 -49.39 74.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.619 HG22 ' CD1' ' A' ' 129' ' ' ILE . 5.8 m -54.06 -50.42 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.14 -33.65 73.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.461 ' O ' HD12 ' A' ' 131' ' ' ILE . 15.2 m -64.73 -56.4 13.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -32.2 72.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.924 HD11 HD12 ' A' ' 96' ' ' LEU . 63.4 mt -71.39 -36.96 63.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -44.54 68.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.871 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.461 HD12 ' O ' ' A' ' 127' ' ' THR . 6.5 mt -66.65 -47.49 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -62.82 -50.03 72.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -59.94 -40.86 90.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -63.0 -47.53 82.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.25 -52.28 66.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.9 p -65.67 -29.13 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.07 -41.39 77.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.987 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -74.25 -40.0 62.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 37.4 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.888 0.375 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -51.18 -47.21 62.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.68 -54.73 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.166 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.0 mp -51.71 -51.44 56.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.59 -64.95 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.646 HG22 ' CE1' ' A' ' 105' ' ' TYR . 61.5 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.876 0.369 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -29.12 70.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -26.61 5.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -69.48 -68.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.7 m -48.59 -45.19 37.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.414 HG23 ' SD ' ' A' ' 106' ' ' MET . 38.6 mm -62.67 -46.49 96.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -62.44 -32.15 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -55.06 10.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.799 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.5 pt -60.45 -36.0 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.37 -52.06 44.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -56.6 -47.07 80.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 14.6 p -61.73 -46.58 89.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.662 HD13 ' HB3' ' A' ' 99' ' ' TYR . 5.6 tp -54.75 -57.95 9.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 177' ' ' GLU . . . . . 0.407 ' OE2' HD22 ' A' ' 38' ' ' LEU . 2.5 tm-20 -54.7 -52.81 61.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.578 ' O ' HG23 ' A' ' 182' ' ' VAL . 59.5 mm-40 -53.39 -50.17 65.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.48 -32.85 71.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.602 ' HB3' HD21 ' A' ' 38' ' ' LEU . 6.0 mt -66.24 -61.38 2.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.23 -46.18 69.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 178' ' ' GLU . 91.2 t -59.18 -52.77 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 82.6 m -53.43 -44.01 68.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.192 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.667 ' HG ' HG21 ' A' ' 34' ' ' ILE . 3.3 tm? -61.2 -52.16 65.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -58.69 -37.01 75.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 3.1 t -64.7 -51.44 62.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 11.7 t -68.66 -24.92 64.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.116 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.414 ' HB ' HG22 ' A' ' 26' ' ' THR . 41.2 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.906 0.384 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 62.28 23.79 14.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.98 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 30' ' ' VAL . 15.1 t -107.2 171.57 7.31 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.179 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.8 p -51.57 -43.8 62.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.156 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.9 -51.53 69.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.842 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.527 HE21 HD13 ' A' ' 33' ' ' LEU . 13.2 tm0? -61.48 -39.8 92.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 26' ' ' THR . 82.3 t -63.22 -54.14 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.696 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.1 -52.09 51.5 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.79 -37.25 93.99 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.527 HD13 HE21 ' A' ' 29' ' ' GLN . 0.6 OUTLIER -66.38 -46.9 75.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.736 0.303 . . . . 0.0 110.912 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.716 HG23 HD22 ' A' ' 180' ' ' LEU . 96.2 mt -61.27 -41.04 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 31' ' ' GLY . 69.0 p -64.51 -47.56 78.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.232 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -61.19 -55.15 35.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.568 HG22 HD11 ' A' ' 41' ' ' ILE . 8.3 p -59.25 -33.89 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.574 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.4 mt -63.89 -48.7 75.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -63.31 -42.18 98.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -45.18 95.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.568 HD11 HG22 ' A' ' 37' ' ' VAL . 29.1 mt -61.78 -46.99 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 38' ' ' LEU . 89.6 t -58.26 -44.83 88.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.68 -42.1 82.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -32.1 73.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -73.91 -50.34 20.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.442 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -69.82 -28.93 66.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -53.96 -33.81 57.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.41 -28.64 69.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.66 28.96 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.42 31.83 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.783 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 59.96 40.21 96.63 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.526 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -87.69 111.81 21.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 77.2 p -61.11 -27.22 68.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.983 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.53 -27.53 58.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 10.3 t -64.46 -34.66 78.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.5 mtp -56.95 -48.05 79.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -102.17 28.23 6.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -79.54 -56.32 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -114.22 26.97 9.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.941 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -96.35 30.35 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.76 -27.58 8.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.45 -36.38 2.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.63 -40.46 79.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -53.12 -29.68 32.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -112.17 33.39 4.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -154.96 29.98 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.82 134.01 34.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -25.77 65.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.91 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.424 HD22 ' OE1' ' A' ' 98' ' ' GLU . 1.7 mt -79.93 154.89 75.47 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.608 0.718 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.445 179.789 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.0 mttt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.741 0.305 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.3 mt -104.97 -27.13 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.162 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.9 p -65.62 -45.16 84.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 m -53.97 -52.37 60.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.73 -51.2 57.59 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.482 HD13 ' HE2' ' A' ' 179' ' ' PHE . 0.8 OUTLIER -55.08 -49.76 70.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.799 0.333 . . . . 0.0 110.892 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 97' ' ' LEU . 3.4 mm? -57.56 -49.17 77.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.424 ' OE1' HD22 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -54.2 -49.05 70.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.673 ' HB3' HD13 ' A' ' 176' ' ' LEU . 24.0 m-85 -57.89 -48.53 79.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -54.22 -48.16 71.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t -63.12 -37.5 87.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.829 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.819 ' HB3' HD12 ' A' ' 172' ' ' ILE . 11.0 m-85 -61.17 -63.13 1.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.514 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.1 pp -55.8 -39.36 71.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.514 ' N ' HD12 ' A' ' 103' ' ' LEU . 7.9 mt-10 -63.58 -37.27 86.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.742 ' CE2' HD22 ' A' ' 153' ' ' LEU . 33.9 t80 -69.18 -45.69 69.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.996 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.46 ' HG2' HD11 ' A' ' 110' ' ' LEU . 3.5 ttp -66.17 -34.65 78.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.902 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -62.63 -25.91 68.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.98 -38.59 83.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.951 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -131.62 99.36 4.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.605 HD22 ' CB ' ' A' ' 114' ' ' LYS . 8.1 mt -149.11 175.79 11.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.06 -176.37 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -61.97 -51.11 69.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -71.08 -48.28 53.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.605 ' CB ' HD22 ' A' ' 110' ' ' LEU . 15.2 mmtm -55.91 -35.74 66.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -68.42 -52.98 26.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -46.26 68.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -71.25 -40.0 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.88 -43.39 73.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.053 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -55.67 -49.69 72.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.54 -43.23 96.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -47.46 84.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.43 ' HA ' HD13 ' A' ' 103' ' ' LEU . 39.9 tt0 -60.91 -49.58 76.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -53.72 -53.26 54.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -55.53 -49.36 72.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.583 HG22 HD12 ' A' ' 129' ' ' ILE . 22.2 m -54.68 -45.94 74.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -66.63 -30.24 70.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.503 ' O ' HD12 ' A' ' 131' ' ' ILE . 9.4 m -70.46 -56.66 6.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.138 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.601 HD22 HD21 ' A' ' 180' ' ' LEU . 2.2 pp -60.78 -37.78 83.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.583 HD12 HG22 ' A' ' 125' ' ' THR . 76.3 mt -70.57 -39.26 75.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.1 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -42.85 96.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.503 HD12 ' O ' ' A' ' 127' ' ' THR . 7.0 mt -68.28 -49.78 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.181 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.567 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.6 m-85 -62.58 -48.98 77.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -62.1 -39.71 93.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -60.98 -54.14 48.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.84 -51.96 67.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 132' ' ' PHE . 94.1 t -58.89 -35.33 55.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -69.12 -39.55 78.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.0 -33.11 70.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.818 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 18.1 tp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 16.2 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.882 0.372 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 154' ' ' THR . 4.2 t30 -51.26 -51.02 57.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.45 -36.59 80.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 51.7 mt -61.27 -64.73 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.742 HD22 ' CE2' ' A' ' 105' ' ' TYR . 4.3 mt -53.49 -50.68 64.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 150' ' ' ASN . 67.7 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.857 0.361 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -29.26 68.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.71 -26.64 2.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -69.48 -68.26 0.42 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.5 m -48.49 -36.47 15.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.185 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 34.0 mm -67.62 -52.59 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -25.6 68.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -55.14 7.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.819 HD12 ' HB3' ' A' ' 102' ' ' TYR . 16.8 pt -63.13 -36.71 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.216 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.65 -52.53 37.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -56.99 -46.22 82.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.34 -47.35 86.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.673 HD13 ' HB3' ' A' ' 99' ' ' TYR . 10.8 tp -54.56 -53.3 56.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.68 -54.8 41.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -52.76 -43.06 65.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.482 ' HE2' HD13 ' A' ' 96' ' ' LEU . 32.0 t80 -61.82 -51.07 69.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.716 HD22 HG23 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -56.67 -35.75 68.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -67.6 -60.86 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 10.3 p -56.68 -33.24 39.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 93.8 m -67.65 -57.44 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.548 HD23 ' CD1' ' A' ' 34' ' ' ILE . 3.1 tm? -56.07 -37.35 69.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -67.05 -48.96 66.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -52.04 67.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.774 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.0 t -61.11 -24.88 66.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.409 ' O ' HG12 ' A' ' 24' ' ' VAL . 19.2 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.859 0.361 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 63.66 50.84 2.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.965 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.556 HG23 ' H ' ' A' ' 29' ' ' GLN . 2.1 t -108.61 159.18 16.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -51.12 -49.28 61.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.7 m -52.29 -51.44 58.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.556 ' H ' HG23 ' A' ' 26' ' ' THR . 9.0 tp60 -60.46 -38.87 85.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 26' ' ' THR . 89.2 t -62.99 -54.41 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.102 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.723 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.48 -52.22 51.5 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.501 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.11 -44.16 94.88 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.44 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.608 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.8 OUTLIER -63.45 -49.45 73.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 -179.876 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.535 ' O ' HD23 ' A' ' 38' ' ' LEU . 15.9 mm -53.91 -44.34 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.073 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 31' ' ' GLY . 30.9 p -65.43 -43.0 91.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -59.15 -55.39 35.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.701 HG22 HD11 ' A' ' 41' ' ' ILE . 8.5 p -60.24 -36.37 68.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.9 OUTLIER -59.93 -48.42 81.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.983 179.889 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -64.94 -44.5 89.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.977 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -44.91 91.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.701 HD11 HG22 ' A' ' 37' ' ' VAL . 39.0 mt -63.11 -47.35 92.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 38' ' ' LEU . 94.6 t -56.15 -45.72 80.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -42.78 91.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.7 ttt -66.64 -32.07 73.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.52 -51.27 24.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.805 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -28.64 67.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.9 -37.37 63.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.3 mt -56.04 -26.19 48.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.06 30.33 4.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 63.08 34.76 13.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.42 45.83 95.48 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.478 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -100.66 118.5 36.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.1 t -67.61 -35.88 79.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -30.49 71.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.831 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.1 t -61.57 -27.61 68.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.7 mtt -62.01 -48.45 80.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -102.6 30.77 4.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -90.43 -63.91 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.59 23.63 13.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -102.5 27.36 6.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.06 -30.74 14.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.26 -30.89 5.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.61 -41.24 66.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.045 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -53.71 -31.28 47.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -107.46 27.24 9.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -134.27 26.12 3.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.89 HD23 HD21 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -100.06 126.52 46.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.96 -29.91 28.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.89 HD21 HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -63.77 156.37 72.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.933 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.134 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.818 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.757 0.313 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 67.8 mt -92.51 -25.08 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.465 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -71.07 -41.81 70.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -52.4 60.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.77 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.69 -48.34 73.68 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.99 -50.18 69.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.865 0.364 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 93' ' ' SER . 4.0 mm? -60.67 -49.23 78.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -55.27 -49.94 70.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -57.46 -49.9 74.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.513 ' HA ' HD21 ' A' ' 103' ' ' LEU . 84.9 t60 -54.22 -44.44 71.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.801 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.3 t -63.82 -41.43 97.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.428 ' HB3' HD12 ' A' ' 172' ' ' ILE . 20.1 m-85 -61.82 -64.01 1.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.982 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' A' ' 100' ' ' HIS . 2.3 pp -51.77 -41.64 61.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.495 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -62.65 -39.68 94.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.653 ' CE1' HG22 ' A' ' 154' ' ' THR . 21.5 t80 -64.59 -52.03 59.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.532 ' HE2' HD11 ' A' ' 110' ' ' LEU . 19.6 ptm -65.71 -35.95 82.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.826 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -53.18 -31.4 42.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -63.67 -38.38 90.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -123.07 95.11 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 114' ' ' LYS . 11.1 mt -148.23 168.42 22.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -176.02 0.6 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -62.28 -51.16 68.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.788 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -72.28 -48.01 45.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.577 ' HB3' HD22 ' A' ' 110' ' ' LEU . 8.2 mttt -55.7 -33.35 64.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -53.3 24.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -54.71 -43.85 72.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -73.7 -32.8 64.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.62 -46.46 90.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -55.61 -49.58 72.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.99 -44.11 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.157 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.4 mp -58.67 -49.04 79.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.5 -50.06 75.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.962 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -53.99 -53.06 58.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.94 -45.15 74.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.511 HG22 HD12 ' A' ' 129' ' ' ILE . 10.2 m -56.84 -51.1 70.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -63.95 -28.83 70.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.53 ' HB ' HD11 ' A' ' 33' ' ' LEU . 33.4 m -71.27 -56.45 6.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.608 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.6 pp -61.22 -35.97 78.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.511 HD12 HG22 ' A' ' 125' ' ' THR . 88.1 mt -70.86 -42.58 77.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -63.63 -40.64 97.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 13.7 mt -68.31 -52.08 41.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.187 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.508 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.5 m-85 -62.03 -45.29 94.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.06 -39.59 94.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -62.31 -51.8 66.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.49 -52.08 67.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.814 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 132' ' ' PHE . 94.0 t -60.91 -35.93 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -42.02 91.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -70.46 -35.26 73.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.748 ' O ' HD12 ' A' ' 153' ' ' LEU . 3.6 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.94 0.4 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -50.71 -40.91 55.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -64.38 -35.31 80.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.5 mp -68.61 -51.7 39.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 149' ' ' SER . 1.5 mp -58.76 -51.04 71.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.653 HG22 ' CE1' ' A' ' 105' ' ' TYR . 66.5 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 23.5 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.855 0.359 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 4.5 ttt-85 -68.4 -29.45 68.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.4 -26.78 5.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -69.23 -68.76 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.6 m -48.45 -44.93 35.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 37.9 mm -62.78 -45.3 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -62.28 -32.6 73.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.07 -55.12 10.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.428 HD12 ' HB3' ' A' ' 102' ' ' TYR . 23.0 pt -59.41 -35.93 61.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.79 -54.5 18.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -59.8 -49.05 79.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.588 ' CB ' HD11 ' A' ' 69' ' ' LEU . 51.9 p -59.74 -43.87 94.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.47 HD11 HD11 ' A' ' 180' ' ' LEU . 9.5 tp -58.21 -58.02 10.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 177' ' ' GLU . . . . . 0.677 ' HA ' HD12 ' A' ' 180' ' ' LEU . 0.0 OUTLIER -53.14 -50.98 63.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.794 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.578 ' O ' HG23 ' A' ' 182' ' ' VAL . 80.4 mt-10 -57.59 -49.97 74.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -59.19 -32.9 70.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 177' ' ' GLU . 15.3 mt -67.93 -61.93 1.64 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -51.57 -42.22 61.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.026 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 178' ' ' GLU . 86.2 t -63.85 -47.88 88.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 99.6 m -60.08 -35.91 76.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.477 ' HG ' HG21 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -68.09 -54.62 16.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -65.15 -25.7 67.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.803 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.1 t -73.85 -49.88 22.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.6 t -70.12 -24.86 63.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.191 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.949 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.865 0.364 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 63.55 48.7 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.508 ' O ' HG23 ' A' ' 30' ' ' VAL . 11.5 p -110.2 165.65 11.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -51.71 -46.1 63.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.4 m -54.7 -51.47 65.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -41.26 97.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 26' ' ' THR . 94.9 t -61.56 -54.11 39.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.125 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.75 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.7 -51.75 54.84 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.99 -40.26 95.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.487 HD11 ' HB ' ' A' ' 127' ' ' THR . 1.7 tt -63.49 -43.34 97.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.752 0.31 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.531 HD13 ' HB2' ' A' ' 184' ' ' LEU . 95.6 mt -63.64 -40.84 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 31' ' ' GLY . 29.7 p -64.18 -46.12 85.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -62.01 -55.33 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.609 HG22 HD11 ' A' ' 41' ' ' ILE . 9.7 p -59.32 -33.24 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.679 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.9 mt -65.33 -48.11 74.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.1 t90 -63.49 -40.64 97.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -63.45 -45.88 88.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.609 HD11 HG22 ' A' ' 37' ' ' VAL . 29.0 mt -61.82 -43.82 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 38' ' ' LEU . 96.8 t -61.07 -50.1 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -64.88 -41.22 95.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -33.92 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.797 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -69.76 -51.32 35.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -28.87 66.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.59 -34.36 61.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.84 -25.56 67.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 65.9 m -95.97 29.8 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.987 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 63.29 31.81 15.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.86 42.14 98.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -100.79 103.71 14.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.6 p -55.16 -26.61 39.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.15 -28.12 67.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.7 t -64.26 -26.16 68.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -49.66 76.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -110.31 25.96 11.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -74.85 -60.29 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -98.16 30.91 2.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -95.85 25.97 4.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.804 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.99 -31.36 11.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.61 -37.47 2.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.09 -31.86 44.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -53.93 -28.15 35.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -121.34 25.89 9.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -137.16 25.9 2.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.524 HD22 HD12 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -97.58 -48.31 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.52 21.78 8.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.524 HD12 HD22 ' A' ' 67' ' ' LEU . 20.5 mt -84.11 159.27 60.04 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.546 0.688 . . . . 0.0 110.982 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.324 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.731 0.301 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.593 HG23 ' CZ ' ' A' ' 179' ' ' PHE . 62.1 mt -106.07 -37.0 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.091 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.512 ' O ' HD23 ' A' ' 97' ' ' LEU . 1.3 m -58.63 -37.96 77.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.2 t -53.84 -52.3 60.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.88 -50.99 55.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.425 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.908 HD21 HD11 ' A' ' 128' ' ' LEU . 1.2 tp -54.07 -47.77 71.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.884 0.373 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 93' ' ' SER . 3.9 mm? -61.72 -49.11 77.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -50.56 71.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.724 ' HB3' HD13 ' A' ' 176' ' ' LEU . 22.3 m-85 -56.86 -47.51 80.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -55.48 -48.69 74.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.822 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.0 p -62.84 -36.12 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.688 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.8 m-85 -63.25 -64.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.509 HD23 HD22 ' A' ' 176' ' ' LEU . 2.2 pp -54.12 -39.5 66.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.492 ' N ' HD12 ' A' ' 103' ' ' LEU . 3.1 mm-40 -65.31 -37.17 86.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.752 ' CE1' HG22 ' A' ' 154' ' ' THR . 8.2 t80 -67.27 -47.23 71.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.724 ' CE ' HD11 ' A' ' 110' ' ' LEU . 15.5 ptm -72.85 -25.85 61.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.697 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -53.38 -45.34 69.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -59.83 -31.83 70.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -110.63 73.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.724 HD11 ' CE ' ' A' ' 106' ' ' MET . 11.9 mt -145.16 178.04 8.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.7 -176.01 5.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -61.59 -51.1 69.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -67.75 -50.88 54.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.575 ' HB3' HD22 ' A' ' 110' ' ' LEU . 6.9 mttt -55.55 -35.84 66.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.68 -53.21 23.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.933 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -51.93 -46.15 64.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.812 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -73.1 -36.54 66.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.94 -45.7 74.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.052 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.36 -45.9 76.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.84 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 94.6 t -66.69 -33.97 66.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.551 HD11 HG13 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -66.48 -51.02 61.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.983 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -63.4 -39.79 95.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -62.31 -50.57 71.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -59.0 -49.39 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.75 HG22 HD11 ' A' ' 129' ' ' ILE . 6.6 m -55.44 -51.04 68.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -58.38 -38.46 77.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.487 ' HB ' HD11 ' A' ' 33' ' ' LEU . 86.2 m -62.13 -56.0 23.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.193 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.908 HD11 HD21 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -61.61 -30.32 70.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.75 HD11 HG22 ' A' ' 125' ' ' THR . 40.0 mt -70.41 -39.94 77.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -39.65 71.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 43.5 mt -67.17 -49.66 70.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.562 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.5 m-85 -64.76 -49.08 72.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -59.55 -41.74 90.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -62.74 -52.0 64.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -60.06 -51.86 67.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 132' ' ' PHE . 98.9 t -58.94 -54.24 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -43.68 63.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -70.03 -30.48 67.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.876 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.953 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.858 0.361 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -50.86 -50.5 56.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.956 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.4 -48.7 71.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 16.8 mt -55.06 -53.3 57.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -53.58 -63.37 1.17 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.752 HG22 ' CE1' ' A' ' 105' ' ' TYR . 70.6 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 20.2 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.832 0.349 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -58.24 -29.67 65.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.87 -26.39 5.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -69.62 -69.03 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.6 m -48.45 -44.62 35.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.2 mm -63.26 -47.47 92.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -63.04 -30.45 71.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 0.404 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -70.46 -55.09 9.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.688 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.4 pt -61.2 -36.48 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.21 -53.84 26.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -56.24 -45.85 79.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.4 t -60.94 -48.85 79.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.724 HD13 ' HB3' ' A' ' 99' ' ' TYR . 18.0 tp -54.29 -58.06 8.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 177' ' ' GLU . . . . . 0.503 ' CD ' HG22 ' A' ' 42' ' ' VAL . 4.0 tt0 -52.69 -52.11 57.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -37.51 72.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.593 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 43.8 t80 -69.66 -31.31 69.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.448 ' HB2' HD21 ' A' ' 38' ' ' LEU . 55.7 mt -72.37 -46.21 56.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.9 ptpm? -65.19 -44.03 89.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.441 HG12 ' HA ' ' A' ' 179' ' ' PHE . 8.3 p -68.85 -34.63 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 8.2 m -69.4 -47.45 64.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.531 ' HB2' HD13 ' A' ' 34' ' ' ILE . 2.9 tm? -71.72 -30.4 65.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -75.0 -37.38 61.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.747 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.6 t -74.18 -50.76 17.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.062 0.458 . . . . 0.0 110.951 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 11.9 t -51.26 -30.44 17.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 7.3 mtm-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.545 HG13 HG23 ' A' ' 26' ' ' THR . 9.6 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.753 0.311 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 64.14 47.18 3.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.659 ' O ' HG23 ' A' ' 30' ' ' VAL . 68.2 p -113.45 162.48 16.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.127 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.7 p -51.8 -41.9 62.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 m -60.42 -51.59 68.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -35.47 77.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 26' ' ' THR . 98.8 t -63.33 -54.6 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.71 ' O ' HG23 ' A' ' 35' ' ' THR . . . -59.72 -51.94 55.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.455 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.76 -41.76 94.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.766 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.4 OUTLIER -64.03 -49.76 71.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.712 0.292 . . . . 0.0 110.908 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.602 ' N ' HD23 ' A' ' 33' ' ' LEU . 24.0 mm -54.62 -43.38 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.256 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 31' ' ' GLY . 29.8 p -65.11 -44.09 89.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.193 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -58.63 -55.57 33.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.745 HG22 HD11 ' A' ' 41' ' ' ILE . 8.4 p -59.63 -36.5 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.168 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.1 mm? -59.77 -48.54 81.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -64.53 -42.49 95.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.931 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -45.81 92.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.745 HD11 HG22 ' A' ' 37' ' ' VAL . 32.6 mt -61.37 -48.15 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.164 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 38' ' ' LEU . 89.8 t -56.91 -51.25 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.39 -46.13 83.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.8 ttt -65.82 -31.89 73.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.2 ttp85 -72.96 -51.25 19.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -28.85 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -56.45 -31.92 64.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.58 -27.5 68.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 56.2 m -99.03 30.97 3.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 t30 63.17 26.55 15.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.64 37.58 93.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.369 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -94.48 110.53 22.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.8 p -55.39 -27.0 44.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.3 -39.31 92.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.794 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -33.92 72.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.0 mtp -58.78 -32.17 69.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -122.88 26.79 8.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -89.55 -62.0 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.21 26.41 8.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.801 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -103.19 26.27 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.62 -29.79 10.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.088 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.61 -33.9 4.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.546 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -58.99 -39.08 80.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -53.1 -33.17 51.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -113.51 26.23 10.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -141.59 25.89 1.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.558 HD11 ' HE2' ' A' ' 174' ' ' LYS . 0.2 OUTLIER -88.66 136.57 32.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.74 -25.59 18.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.765 HD21 HG22 ' A' ' 172' ' ' ILE . 10.7 mp -63.96 160.64 45.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 110.958 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.156 0 C-N-CA 122.712 2.275 . . . . 0.0 112.323 179.9 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.0 mttt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.732 0.301 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.1 mt -109.65 -35.34 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.3 p -59.32 -48.65 80.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.833 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 m -53.85 -52.29 60.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.38 -46.94 91.57 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.535 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.601 HD22 ' CG1' ' A' ' 129' ' ' ILE . 10.6 mt -57.83 -56.13 25.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -48.37 73.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -52.8 -50.84 62.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -58.35 -46.07 86.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.994 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -55.36 -45.07 76.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.841 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -39.08 89.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.602 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.4 m-85 -60.38 -60.98 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.838 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 pp -57.86 -42.29 84.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -34.44 76.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.806 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.623 ' CD1' HG22 ' A' ' 154' ' ' THR . 2.8 t80 -71.64 -47.22 55.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 27.9 ttp -70.39 -26.03 63.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -30.34 71.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.934 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -60.09 -39.7 87.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -121.98 94.05 4.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.686 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.3 mt -149.06 178.02 9.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.988 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -80.01 -176.05 5.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -51.06 68.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -70.78 -47.9 57.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.767 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.686 ' CB ' HD22 ' A' ' 110' ' ' LEU . 16.6 mmtm -55.74 -38.81 70.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -67.72 -51.48 48.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.27 -48.74 65.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -38.15 73.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.88 -45.07 74.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.051 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.61 -49.87 71.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.5 -43.67 94.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.081 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.08 -49.02 79.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -58.3 -50.36 73.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -53.72 -53.15 56.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.07 -44.94 75.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.646 HG22 ' CD1' ' A' ' 129' ' ' ILE . 7.0 m -58.31 -51.0 71.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.93 -32.5 72.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.601 ' HB ' HD11 ' A' ' 33' ' ' LEU . 8.2 m -69.08 -56.47 7.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.048 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.766 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -60.3 -32.92 71.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.646 ' CD1' HG22 ' A' ' 125' ' ' THR . 75.2 mt -72.3 -41.33 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -64.63 -43.82 92.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 23.0 mt -67.7 -48.62 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.57 -50.16 70.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -60.4 -40.07 89.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -63.43 -46.48 86.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -60.38 -52.26 66.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.7 m -65.06 -31.83 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -66.47 -43.31 85.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.88 -26.01 43.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.9 tp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.894 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.851 0.358 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -50.6 -51.14 51.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.795 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.85 -47.51 74.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 22.3 mt -55.17 -55.05 35.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.473 HD11 HG21 ' A' ' 168' ' ' THR . 3.9 mm? -53.38 -62.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.623 HG22 ' CD1' ' A' ' 105' ' ' TYR . 66.3 p . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.198 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.747 0.308 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -77.0 -29.31 55.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.23 -26.72 12.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -70.03 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 168' ' ' THR . . . . . 0.473 HG21 HD11 ' A' ' 153' ' ' LEU . 96.8 m -48.92 -45.45 41.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.38 -46.76 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -61.78 -32.2 72.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -69.71 -55.27 10.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.765 HG22 HD21 ' A' ' 69' ' ' LEU . 18.8 pt -60.32 -36.36 68.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.22 -52.16 44.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 174' ' ' LYS . . . . . 0.558 ' HE2' HD11 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -59.82 -47.23 86.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.943 179.773 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 4.4 t -62.39 -39.42 93.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.689 HD12 HD13 ' A' ' 180' ' ' LEU . 11.1 tp -63.08 -45.64 91.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -57.12 11.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.52 ' O ' HG23 ' A' ' 182' ' ' VAL . 17.8 pt-20 -57.19 -36.73 71.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -64.1 -48.86 74.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.689 HD13 HD12 ' A' ' 176' ' ' LEU . 5.6 mp -61.02 -41.7 97.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 181' ' ' LYS . . . . . 0.557 ' HG2' HD11 ' A' ' 38' ' ' LEU . 3.5 mtmt -61.63 -52.04 66.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.972 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 178' ' ' GLU . 66.2 t -63.13 -33.16 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 97.7 m -68.43 -47.77 66.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.643 ' O ' HD13 ' A' ' 184' ' ' LEU . 3.4 tm? -68.85 -31.55 70.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.43 -38.29 49.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.962 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 41.5 t -76.6 -48.08 20.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.0 t -52.93 -28.11 21.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.941 179.943 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.6 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.815 0.34 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 63.56 26.44 14.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.95 168.39 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -32.87 37.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.9 p -68.27 -43.77 77.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.69 -50.85 70.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.7 m -62.16 -40.89 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 35' ' ' THR . . . -59.96 -53.02 49.32 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.508 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.41 -38.98 97.21 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.738 HD21 ' O ' ' A' ' 124' ' ' ASP . 2.4 tt -64.87 -44.19 90.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.772 0.32 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.577 HD13 HD22 ' A' ' 184' ' ' LEU . 34.6 mt -62.03 -43.91 98.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 31' ' ' GLY . 59.3 p -62.97 -45.94 90.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -59.04 -55.41 35.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.715 HG22 ' CD1' ' A' ' 41' ' ' ILE . 13.3 p -60.36 -33.01 52.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.771 HD11 ' HB3' ' A' ' 180' ' ' LEU . 1.5 mp -62.37 -48.66 78.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -65.73 -42.67 90.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.41 -47.25 86.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.804 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.715 ' CD1' HG22 ' A' ' 37' ' ' VAL . 48.2 mt -60.27 -47.97 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 38' ' ' LEU . 92.7 t -56.12 -53.47 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -58.15 -45.56 87.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.1 ttt -63.96 -31.65 72.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -51.3 41.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -71.49 -28.5 63.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.34 -36.9 66.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.567 HD12 ' HE3' ' A' ' 114' ' ' LYS . 7.1 mp -56.9 -32.92 66.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.0 m -95.97 36.68 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.2 t30 58.09 27.31 14.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.2 39.62 98.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -94.92 113.83 25.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.72 -28.4 47.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.789 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.68 -46.55 88.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -26.78 46.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 32.6 mtp -73.82 -42.14 61.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -109.09 34.73 3.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.22 -59.29 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.41 28.54 8.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -96.29 26.35 4.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.93 -25.55 8.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.051 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.29 -37.11 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.23 -40.21 81.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -56.43 -28.91 60.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.805 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -114.94 26.83 9.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -145.8 26.17 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.447 HD11 ' HE3' ' A' ' 174' ' ' LYS . 0.3 OUTLIER -84.69 136.54 33.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.953 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.27 -25.95 19.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.565 HD21 HG22 ' A' ' 172' ' ' ILE . 8.8 mp -64.12 160.68 46.34 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.687 0.756 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.856 0.36 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.669 HG23 ' CZ ' ' A' ' 179' ' ' PHE . 77.6 mt -125.35 -37.57 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -40.56 74.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.06 -52.35 61.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.3 -50.92 58.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.557 HD13 ' HE2' ' A' ' 179' ' ' PHE . 0.9 OUTLIER -55.2 -50.49 69.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.86 0.362 . . . . 0.0 110.883 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.84 -49.17 77.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -55.62 -49.56 72.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -56.52 -50.21 72.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -54.2 -47.42 72.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -36.35 83.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.749 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.7 m-85 -64.57 -64.46 0.87 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.919 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 122' ' ' GLN . 1.6 pp -52.56 -42.22 64.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.456 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.6 mm-40 -64.81 -37.67 88.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.786 ' CD1' HG22 ' A' ' 154' ' ' THR . 2.8 t80 -70.05 -49.37 51.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 32.2 ttp -68.25 -27.96 66.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -28.08 68.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -59.72 -36.84 77.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -129.07 98.16 4.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.657 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.7 mt -148.9 177.88 9.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -78.5 -176.04 4.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.7 -51.25 67.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -70.9 -48.11 55.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.657 ' CB ' HD22 ' A' ' 110' ' ' LEU . 19.7 mmtm -55.68 -37.22 68.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -68.35 -50.77 50.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -53.12 -47.45 68.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -72.11 -38.11 69.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.82 -45.51 74.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -55.57 -43.21 75.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 63.8 t -67.73 -35.99 74.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.2 -51.12 65.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.475 ' HA ' HD13 ' A' ' 103' ' ' LEU . 13.0 pt20 -63.32 -43.97 96.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -57.15 -53.11 61.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.738 ' O ' HD21 ' A' ' 33' ' ' LEU . 56.4 m-20 -57.24 -53.76 54.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.786 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.6 m -55.23 -46.15 76.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -54.96 -49.17 72.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.409 ' HB ' HD11 ' A' ' 33' ' ' LEU . 4.6 m -59.47 -51.51 69.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.143 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.625 HD23 ' N ' ' A' ' 129' ' ' ILE . 0.1 OUTLIER -56.3 -52.21 65.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.625 ' N ' HD23 ' A' ' 128' ' ' LEU . 67.8 mt -57.54 -37.24 57.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -62.72 -48.31 79.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 69.3 mt -63.0 -53.0 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -58.92 -50.19 74.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.793 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -58.14 -38.02 75.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -63.83 -49.82 71.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -58.53 -52.3 66.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.3 m -63.88 -32.15 55.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -65.84 -43.39 88.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -76.09 -28.77 57.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.909 0.385 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -51.8 -50.95 59.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.816 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -51.82 -48.72 63.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.7 mp -57.85 -48.22 80.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.587 HD23 ' CE2' ' A' ' 105' ' ' TYR . 0.4 OUTLIER -55.04 -63.0 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.786 HG22 ' CD1' ' A' ' 105' ' ' TYR . 48.5 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.838 0.351 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 27.7 ptt-85 -81.85 -26.3 34.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 4.3 m -52.3 -26.64 12.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -69.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.962 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.8 m -48.87 -45.6 41.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.29 -46.91 95.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -60.49 -33.41 72.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -69.5 -55.24 10.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.749 HD12 ' HB3' ' A' ' 102' ' ' TYR . 20.1 pt -60.81 -35.72 66.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.211 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 18.1 mt -67.14 -54.27 22.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.936 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 174' ' ' LYS . . . . . 0.447 ' HE3' HD11 ' A' ' 67' ' ' LEU . 5.1 tttp -56.42 -48.31 77.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.29 -42.66 99.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.1 tp -57.55 -52.32 65.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -58.93 -56.9 16.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.11 -47.39 68.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.669 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 35.6 t80 -55.83 -51.56 67.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.771 ' HB3' HD11 ' A' ' 38' ' ' LEU . 1.9 tp -54.35 -48.84 71.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 181' ' ' LYS . . . . . 0.56 ' HG2' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -55.15 -60.82 2.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.19 -46.55 67.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 92.6 m -52.94 -50.21 64.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.156 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.577 HD22 HD13 ' A' ' 34' ' ' ILE . 5.3 tp -61.28 -41.68 97.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -63.9 -30.92 71.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 42.0 t -74.32 -52.16 13.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.808 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.3 t -59.94 -32.88 71.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.169 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.803 -179.892 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.92 0.391 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 63.23 26.01 15.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.959 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.62 176.43 6.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.169 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.98 -33.11 66.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 p -67.8 -42.21 81.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -50.8 68.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.7 m -62.29 -39.7 85.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.177 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.622 ' O ' HG23 ' A' ' 35' ' ' THR . . . -61.93 -52.54 49.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.525 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.5 -36.61 93.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.547 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.705 HD21 ' O ' ' A' ' 124' ' ' ASP . 1.9 tt -66.32 -50.12 64.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.811 0.339 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.513 HD13 ' HB2' ' A' ' 184' ' ' LEU . 97.5 mt -59.49 -42.25 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 31' ' ' GLY . 69.2 p -63.55 -46.8 84.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -58.06 -55.43 34.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.824 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.715 HG22 ' CD1' ' A' ' 41' ' ' ILE . 13.5 p -60.05 -34.2 55.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.051 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.4 mp -61.25 -48.59 80.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -65.05 -43.34 92.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.426 ' HB3' HD11 ' A' ' 121' ' ' LEU . 1.6 tm-20 -61.6 -44.2 97.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.812 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.715 ' CD1' HG22 ' A' ' 37' ' ' VAL . 44.8 mt -62.15 -46.61 96.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 38' ' ' LEU . 88.1 t -58.78 -47.38 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.07 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -66.87 -41.37 87.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.2 ttt -66.54 -31.85 72.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.955 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.04 -51.09 16.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.474 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -69.31 -28.73 66.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -53.88 -32.74 54.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.3 mt -58.37 -31.58 67.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.02 29.73 2.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 61.82 28.58 17.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.55 39.09 68.62 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.592 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -93.06 106.73 18.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 110.927 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.77 -27.36 50.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.81 -27.13 67.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -26.14 65.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 10.4 mtt -66.4 -51.8 53.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -97.89 31.65 2.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -78.84 -48.61 14.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.47 ' OD1' HD21 ' A' ' 62' ' ' LEU . 6.6 t0 -144.48 35.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -96.13 26.36 4.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.804 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.52 -31.09 9.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.109 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.47 HD21 ' OD1' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -117.01 -28.12 6.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.024 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.528 ' HB1' ' CZ ' ' A' ' 171' ' ' PHE . . . -51.68 -47.28 63.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -60.52 -26.27 66.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -107.11 25.9 10.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -143.15 25.06 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.815 HD22 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -98.37 178.48 5.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.16 -19.0 10.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.815 HD11 HD22 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -84.6 158.47 59.87 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.591 0.71 . . . . 0.0 110.911 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.341 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.871 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.3 tttt . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.79 0.329 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.569 HG23 ' CZ ' ' A' ' 179' ' ' PHE . 61.8 mt -107.08 -37.54 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.089 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 t -52.52 -41.36 63.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 t -54.03 -52.31 61.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.69 -51.35 54.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.445 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.72 HD21 HD11 ' A' ' 128' ' ' LEU . 0.8 OUTLIER -53.45 -49.82 66.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.837 0.351 . . . . 0.0 110.98 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.71 -49.23 78.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -56.97 -49.65 75.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.93 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.575 ' CB ' HD13 ' A' ' 176' ' ' LEU . 20.4 m-85 -56.02 -47.46 77.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -56.71 -48.44 77.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.779 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.88 -33.0 74.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.637 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.4 m-85 -67.22 -64.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 104' ' ' GLU . 1.7 pp -52.78 -39.23 62.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.97 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.404 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.5 tt0 -66.23 -42.71 88.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.752 ' CD1' HG22 ' A' ' 154' ' ' THR . 4.6 t80 -60.32 -47.06 87.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.947 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.474 ' SD ' HG23 ' A' ' 169' ' ' ILE . 6.1 ptm -74.7 -25.96 59.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.563 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -64.7 -37.81 88.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.73 -24.18 63.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -129.55 83.76 2.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.639 HD22 ' CB ' ' A' ' 114' ' ' LYS . 7.2 mt -147.78 177.97 8.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -76.83 -175.98 3.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -63.11 -51.21 67.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -69.08 -48.78 61.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.639 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.1 mmtm -55.76 -41.09 73.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -67.42 -44.66 78.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -55.84 -49.98 71.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.803 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.8 mmtm -71.86 -38.54 70.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.81 -44.76 74.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -55.6 -49.69 72.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.83 -41.05 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.157 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 40' ' ' GLU . 1.9 mp -58.91 -49.93 75.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.35 -48.19 82.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -53.92 -53.26 55.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.705 ' O ' HD21 ' A' ' 33' ' ' LEU . 76.8 m-20 -55.8 -49.1 74.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.959 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.689 HG22 ' CD1' ' A' ' 129' ' ' ILE . 5.9 m -55.64 -48.78 74.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -60.84 -35.25 76.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.523 ' O ' HD12 ' A' ' 131' ' ' ILE . 5.7 m -64.84 -56.46 13.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.72 HD11 HD21 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -61.35 -31.33 71.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.945 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.689 ' CD1' HG22 ' A' ' 125' ' ' THR . 48.7 mt -71.86 -38.3 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.071 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.45 -42.66 74.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.523 HD12 ' O ' ' A' ' 127' ' ' THR . 6.0 mt -67.48 -49.81 67.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.578 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.4 m-85 -61.99 -50.13 73.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -60.84 -39.75 90.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -61.39 -53.32 58.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -60.55 -52.35 65.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 132' ' ' PHE . 97.8 t -57.04 -55.07 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.163 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -52.9 -43.03 65.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -69.99 -28.49 65.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.841 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -51.09 -50.31 58.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.38 -48.74 71.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.5 mt -55.6 -51.68 66.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.82 -63.77 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.988 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.752 HG22 ' CD1' ' A' ' 105' ' ' TYR . 58.0 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.16 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.813 0.34 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -28.19 67.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 3.1 m -50.77 -26.59 5.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -69.32 -69.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.8 m -48.47 -45.0 36.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.474 HG23 ' SD ' ' A' ' 106' ' ' MET . 39.4 mm -63.01 -45.59 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.048 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.6 -30.69 71.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 0.528 ' CZ ' ' HB1' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -71.18 -55.26 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.637 HD12 ' HB3' ' A' ' 102' ' ' TYR . 13.0 pt -59.13 -39.51 78.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.593 HD12 HG23 ' A' ' 41' ' ' ILE . 3.5 mm? -67.21 -48.52 67.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -44.5 95.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 22.3 m -62.76 -44.04 97.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.575 HD13 ' CB ' ' A' ' 99' ' ' TYR . 17.8 tp -60.4 -47.49 85.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -59.59 -57.19 14.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -59.23 -30.94 68.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.569 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 53.4 t80 -74.92 -30.87 61.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.533 ' CB ' HD11 ' A' ' 38' ' ' LEU . 46.5 mt -74.88 -47.26 31.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 181' ' ' LYS . . . . . 0.449 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -67.99 -39.51 83.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 179' ' ' PHE . 5.7 p -70.57 -35.51 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.227 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 22.6 m -75.23 -34.02 61.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.513 ' HB2' HD13 ' A' ' 34' ' ' ILE . 2.8 tm? -75.99 -35.3 59.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -33.19 40.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 23.6 m -77.36 -49.57 14.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.069 0.462 . . . . 0.0 110.964 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.0 t -51.71 -29.67 19.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.178 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.814 0.34 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 63.48 41.24 7.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.013 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.46 ' O ' HG23 ' A' ' 30' ' ' VAL . 8.3 p -95.58 161.47 14.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -51.91 -47.78 64.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.38 -51.2 60.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -36.56 78.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 26' ' ' THR . 73.7 t -63.68 -54.38 32.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.708 ' O ' HG23 ' A' ' 35' ' ' THR . . . -58.4 -52.1 54.74 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.513 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.06 -43.8 94.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.506 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.766 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.5 OUTLIER -63.14 -49.5 74.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.743 0.306 . . . . 0.0 110.889 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.083 HG21 HD13 ' A' ' 184' ' ' LEU . 11.5 mm -54.05 -44.58 63.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 31' ' ' GLY . 30.5 p -65.12 -43.16 92.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -58.56 -55.45 34.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.704 HG22 HD11 ' A' ' 41' ' ' ILE . 8.1 p -59.97 -35.55 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.102 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.713 HD11 ' HG2' ' A' ' 181' ' ' LYS . 0.3 OUTLIER -60.17 -48.63 80.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -65.78 -42.62 90.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.544 ' OE2' HG11 ' A' ' 120' ' ' VAL . 2.3 mt-10 -59.7 -46.43 89.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.704 HD11 HG22 ' A' ' 37' ' ' VAL . 36.7 mt -62.9 -47.09 94.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.092 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 38' ' ' LEU . 98.6 t -57.82 -41.7 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.084 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.37 -43.71 69.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.412 ' SD ' HD11 ' A' ' 173' ' ' LEU . 1.8 ttt -65.73 -31.8 73.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -74.81 -50.71 16.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -68.74 -28.82 67.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -54.72 -38.09 66.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.9 mt -55.94 -26.55 48.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.38 33.16 4.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 58.79 37.06 25.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.05 43.29 93.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.567 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -91.69 120.29 32.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.4 p -63.41 -33.45 75.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.816 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -45.7 91.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.801 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.02 -29.95 32.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.7 mtp -61.26 -37.92 84.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.75 26.71 9.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -85.43 -60.78 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.95 26.45 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -103.42 28.82 6.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.55 -30.93 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.69 -32.26 4.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.34 -37.83 57.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.041 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -53.98 -29.2 42.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -117.15 27.07 9.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -146.55 30.07 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.838 HD22 HD12 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -103.45 -48.87 3.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.26 23.83 9.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.838 HD12 HD22 ' A' ' 67' ' ' LEU . 20.3 mt -83.99 159.25 60.42 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.648 0.737 . . . . 0.0 110.947 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.64 2.226 . . . . 0.0 112.346 179.866 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.6 mttp . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.795 0.331 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.536 HG23 ' CZ ' ' A' ' 179' ' ' PHE . 61.7 mt -74.68 -40.56 47.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.4 t -53.63 -37.09 62.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.3 t -53.92 -52.46 60.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.69 -49.88 61.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.913 HD21 HD11 ' A' ' 128' ' ' LEU . 1.2 tp -55.29 -46.83 76.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 mp -61.86 -48.98 78.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -51.4 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -57.4 -48.24 79.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.469 ' HA ' HD21 ' A' ' 103' ' ' LEU . 36.5 t-80 -54.25 -45.71 72.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.1 m -63.81 -41.0 97.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.403 ' HB3' HD12 ' A' ' 172' ' ' ILE . 19.4 m-85 -62.09 -64.51 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.469 HD21 ' HA ' ' A' ' 100' ' ' HIS . 2.5 pp -52.35 -40.14 61.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.431 ' N ' HD12 ' A' ' 103' ' ' LEU . 3.3 mm-40 -64.67 -37.77 88.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.942 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.656 ' CD1' HG22 ' A' ' 154' ' ' THR . 2.7 t80 -65.12 -49.25 70.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.027 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.529 ' HE2' HD11 ' A' ' 110' ' ' LEU . 9.4 ptm -68.38 -30.4 69.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.84 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.679 ' HA ' HD12 ' A' ' 110' ' ' LEU . 7.1 tmtt? -54.17 -36.6 63.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.977 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -45.16 93.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -105.76 82.49 1.8 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 107' ' ' LYS . 11.0 mt -145.82 175.72 10.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.007 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.0 -176.04 5.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.09 -51.06 69.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -48.18 63.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.598 ' HB3' HD22 ' A' ' 110' ' ' LEU . 21.7 mmtm -55.91 -40.01 72.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -51.98 45.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.825 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.54 -46.24 63.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -73.17 -36.58 66.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.8 77.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -55.68 -41.32 73.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.544 HG11 ' OE2' ' A' ' 40' ' ' GLU . 91.7 t -71.02 -35.72 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -51.94 42.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -64.86 -35.25 80.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -65.26 -49.97 67.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.797 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -60.72 -46.68 89.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.678 HG22 HD11 ' A' ' 129' ' ' ILE . 5.7 m -58.02 -48.84 78.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.256 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -58.51 -42.03 86.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.44 ' HB ' HD11 ' A' ' 33' ' ' LEU . 6.7 m -60.54 -55.35 34.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.065 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.913 HD11 HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -60.55 -30.59 69.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.678 HD11 HG22 ' A' ' 125' ' ' THR . 40.1 mt -71.2 -37.9 68.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.14 -40.63 71.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 85.7 mt -67.78 -48.64 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.452 ' O ' HG23 ' A' ' 136' ' ' VAL . 4.2 m-85 -64.57 -48.05 76.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -61.3 -40.9 95.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -62.45 -51.27 68.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -57.4 -51.88 67.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 132' ' ' PHE . 94.3 t -61.02 -49.95 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -51.91 -44.9 64.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.023 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -68.71 -37.23 79.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -50.07 -48.22 53.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.771 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.63 -45.63 81.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 20.3 mt -57.82 -52.42 65.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.586 HD11 HG21 ' A' ' 168' ' ' THR . 3.9 mm? -54.51 -62.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.656 HG22 ' CD1' ' A' ' 105' ' ' TYR . 65.9 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.143 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.837 0.351 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -47.95 66.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.32 -26.83 13.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -69.17 -70.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 168' ' ' THR . . . . . 0.586 HG21 HD11 ' A' ' 153' ' ' LEU . 10.6 m -48.95 -44.03 40.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.207 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.18 -45.88 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.186 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -63.04 -30.04 71.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.76 -55.38 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.403 HD12 ' HB3' ' A' ' 102' ' ' TYR . 17.6 pt -58.07 -38.77 69.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.07 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.412 HD11 ' SD ' ' A' ' 44' ' ' MET . 3.6 mm? -68.0 -50.15 57.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 174' ' ' LYS . . . . . 0.509 ' HE3' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -58.44 -52.17 66.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.824 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 55.9 p -60.07 -42.74 95.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.573 HD12 HD13 ' A' ' 180' ' ' LEU . 13.1 tp -55.98 -54.01 49.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -55.32 36.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.94 -49.69 65.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.536 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 54.6 t80 -53.62 -53.19 55.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.573 HD13 HD12 ' A' ' 176' ' ' LEU . 6.6 mp -55.38 -40.93 71.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 181' ' ' LYS . . . . . 0.713 ' HG2' HD11 ' A' ' 38' ' ' LEU . 10.7 mtmt -58.78 -62.55 1.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 6.1 p -57.8 -38.76 67.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 60.6 m -55.21 -52.22 64.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 1.083 HD13 HG21 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -64.69 -44.34 90.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.967 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -59.01 -29.45 67.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 7.1 t -82.53 -50.13 9.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.608 HG22 ' HA ' ' A' ' 184' ' ' LEU . 6.4 t -66.37 -16.35 64.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.072 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.405 HG23 ' H ' ' A' ' 26' ' ' THR . 18.8 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.852 0.358 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 63.51 36.73 10.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.657 ' O ' HG23 ' A' ' 30' ' ' VAL . 21.7 p -109.98 165.85 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 p -58.43 -40.28 82.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m -60.29 -51.65 68.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -62.11 -41.81 98.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.762 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 26' ' ' THR . 91.4 t -61.2 -54.34 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.718 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.15 -51.96 52.44 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.25 -40.94 94.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.543 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.514 HD11 ' HB ' ' A' ' 127' ' ' THR . 1.4 tt -64.38 -49.8 70.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.549 ' O ' HD23 ' A' ' 38' ' ' LEU . 26.2 mm -55.44 -42.96 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.151 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.718 HG23 ' O ' ' A' ' 31' ' ' GLY . 31.3 p -65.35 -44.23 88.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -57.76 -55.67 31.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.841 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.737 HG22 HD11 ' A' ' 41' ' ' ILE . 7.8 p -60.08 -36.85 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.621 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -59.04 -48.4 81.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -65.5 -42.07 92.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -61.87 -41.12 97.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.737 HD11 HG22 ' A' ' 37' ' ' VAL . 33.0 mt -66.17 -46.79 86.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.179 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 38' ' ' LEU . 87.6 t -58.14 -48.12 85.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.263 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -66.5 -41.72 88.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.426 ' O ' HD13 ' A' ' 48' ' ' LEU . 3.1 ttp -65.91 -32.14 73.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -72.9 -51.14 19.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.421 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -69.42 -28.86 66.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.93 -38.23 67.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 44' ' ' MET . 9.2 mp -61.29 -26.34 67.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 m -96.23 27.39 3.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t30 62.52 34.23 15.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.41 41.9 98.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.482 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -100.39 105.05 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.5 p -57.82 -26.46 62.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.81 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.8 -29.17 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.65 -28.03 69.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.1 mtp -58.49 -43.97 89.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -116.81 26.03 10.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -74.09 -60.43 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.8 23.33 13.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.506 ' HA ' ' HB3' ' A' ' 63' ' ' ALA . 6.4 t70 -76.21 -27.34 56.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.33 -29.73 25.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.13 -31.62 7.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.506 ' HB3' ' HA ' ' A' ' 60' ' ' ASP . . . -55.0 -28.4 51.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.074 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.55 -27.02 56.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -111.59 26.2 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -137.76 27.28 2.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 mt -103.64 -67.32 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 58.18 22.62 9.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.979 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mp -84.16 160.78 56.73 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.526 0.679 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.839 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.78 0.324 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.8 mt -95.6 -29.68 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 m -71.0 -45.5 63.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -52.42 60.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.28 -49.77 68.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.531 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.416 HD23 HG12 ' A' ' 129' ' ' ILE . 1.3 mp -53.68 -47.06 70.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.918 0.39 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.96 -49.38 76.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.3 -53.37 56.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.734 ' HB3' HD13 ' A' ' 176' ' ' LEU . 24.7 m-85 -55.58 -47.16 76.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.987 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -54.56 -47.48 73.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -38.81 91.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.791 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.2 m-85 -61.33 -63.59 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 pp -55.14 -36.87 66.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.928 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -65.98 -36.97 84.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -68.77 -52.03 34.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.738 ' HE1' HD11 ' A' ' 110' ' ' LEU . 4.6 ppp? -66.89 -28.09 68.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.834 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -63.49 -28.62 70.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.79 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -35.65 81.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -128.5 98.17 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.738 HD11 ' HE1' ' A' ' 106' ' ' MET . 6.6 mt -148.8 177.96 9.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -75.15 -176.03 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -64.04 -51.22 65.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.9 -47.1 48.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.597 ' HB3' HD22 ' A' ' 110' ' ' LEU . 8.4 mttt -55.68 -34.18 64.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -68.8 -53.1 23.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.53 -45.07 69.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -72.24 -39.02 68.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.93 -46.4 74.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -55.66 -44.1 76.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 90.5 t -67.26 -34.19 67.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.582 HD21 HG12 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -66.3 -50.8 62.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -63.27 -41.82 99.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -60.31 -53.13 61.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -57.23 -46.26 83.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.561 HG22 ' CD1' ' A' ' 129' ' ' ILE . 22.2 m -56.47 -51.13 69.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.98 -34.67 73.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.514 ' HB ' HD11 ' A' ' 33' ' ' LEU . 11.1 m -64.63 -56.15 15.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.116 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.406 HD22 ' CD1' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -62.65 -31.38 72.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.561 ' CD1' HG22 ' A' ' 125' ' ' THR . 67.9 mt -71.17 -38.03 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.076 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.42 -42.22 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.1 mt -66.8 -47.94 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -64.89 -50.05 68.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -59.4 -40.69 87.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -63.49 -49.45 73.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -57.21 -52.07 66.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.3 -28.06 42.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.165 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -69.15 -40.71 78.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.49 -41.73 54.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.415 ' HA ' HD12 ' A' ' 152' ' ' LEU . 3.3 m . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.895 0.378 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -51.85 -51.09 59.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.07 81.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 149' ' ' SER . 48.1 mt -60.77 -62.67 1.69 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.789 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.51 -51.27 65.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 46.9 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.94 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.9 tt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.761 0.315 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -59.41 -30.18 68.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.93 -27.21 12.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -69.75 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.2 m -48.9 -45.35 41.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.53 -47.83 91.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -61.35 -32.04 71.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.51 -55.19 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.791 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.8 pt -61.17 -35.84 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -67.24 -50.95 58.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -58.27 -47.33 83.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 10.5 t -61.14 -46.52 90.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.734 HD13 ' HB3' ' A' ' 99' ' ' TYR . 18.5 tp -56.05 -51.36 68.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.67 -57.06 14.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 182' ' ' VAL . 7.5 mt-10 -53.28 -50.04 65.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -57.03 -44.22 82.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 38.8 mt -57.9 -49.81 75.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 181' ' ' LYS . . . . . 0.528 ' CG ' HD11 ' A' ' 38' ' ' LEU . 5.6 mtmp? -57.47 -53.88 53.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 178' ' ' GLU . 65.0 t -55.2 -37.39 43.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.022 0.439 . . . . 0.0 111.249 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 30.5 m -70.29 -38.15 74.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.623 ' O ' HD13 ' A' ' 184' ' ' LEU . 2.6 tm? -66.76 -38.54 86.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -81.27 -28.23 34.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 7.7 m -78.17 -41.62 34.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.802 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.0 t -65.39 -30.22 71.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.889 0.376 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 63.6 51.46 2.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.521 HG23 ' H ' ' A' ' 29' ' ' GLN . 2.0 t -108.95 158.99 17.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.137 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 p -51.44 -48.38 62.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -51.57 55.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.521 ' H ' HG23 ' A' ' 26' ' ' THR . 1.6 tm0? -60.18 -39.87 87.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 26' ' ' THR . 91.5 t -64.03 -54.09 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.688 ' O ' HG23 ' A' ' 35' ' ' THR . . . -54.72 -51.86 49.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.64 -38.79 97.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.532 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.65 -43.56 89.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.502 ' CD1' HD22 ' A' ' 184' ' ' LEU . 85.1 mt -64.28 -40.95 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 31' ' ' GLY . 73.1 p -64.31 -47.1 80.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.232 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -61.47 -55.24 33.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.802 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.595 HG22 HD11 ' A' ' 41' ' ' ILE . 7.7 p -59.5 -33.7 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.662 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.9 mt -64.2 -48.46 75.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -63.23 -44.11 96.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.64 -47.13 86.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.595 HD11 HG22 ' A' ' 37' ' ' VAL . 31.9 mt -60.09 -48.93 86.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.052 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 38' ' ' LEU . 92.3 t -54.69 -53.26 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.71 -40.28 83.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.3 tpt -65.52 -32.03 73.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.98 -48.99 41.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -70.13 -28.29 65.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -53.93 -44.69 70.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.458 HD21 HG21 ' A' ' 169' ' ' ILE . 9.1 mp -58.65 -25.94 63.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.834 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.9 m -95.81 26.09 4.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t30 63.01 37.87 11.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.58 27.68 27.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.443 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -84.5 107.99 17.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.921 0.391 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.7 p -54.97 -26.83 39.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.78 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.05 -44.93 94.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.6 t -53.68 -28.21 32.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.5 mtp -62.47 -41.3 98.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -123.73 38.27 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -90.92 -72.17 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -107.24 32.79 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.87 26.1 4.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.6 -30.86 14.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.06 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.01 -33.78 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.516 ' HB1' ' CE1' ' A' ' 171' ' ' PHE . . . -61.5 -38.7 88.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -54.4 -27.57 37.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -119.23 30.86 6.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 -139.34 24.19 2.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.522 HD23 ' CD2' ' A' ' 171' ' ' PHE . 1.3 mp -90.81 -34.21 15.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.63 22.06 9.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mp -84.09 160.67 57.15 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.678 0.751 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.27 . . . . 0.0 112.317 179.893 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.1 mttt . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.733 0.302 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.8 mt -104.87 -26.01 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -50.22 36.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.9 m -55.96 -52.31 64.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.87 -51.11 60.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 mp -54.61 -48.57 72.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.328 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.38 -49.15 75.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -55.27 -52.21 64.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -55.39 -44.22 75.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.475 ' HA ' HD21 ' A' ' 103' ' ' LEU . 21.9 t-80 -59.95 -42.55 94.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.9 m -69.82 -29.37 66.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.764 ' HB3' HD12 ' A' ' 172' ' ' ILE . 14.7 m-85 -72.57 -52.67 14.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.563 HD13 ' HA ' ' A' ' 122' ' ' GLN . 2.3 pp -63.46 -42.98 98.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.548 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.9 pp20? -67.88 -33.16 74.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.59 ' CE1' HG22 ' A' ' 154' ' ' THR . 27.6 t80 -67.54 -50.83 56.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.416 ' HG2' HD11 ' A' ' 110' ' ' LEU . 11.4 ttp -70.59 -36.3 73.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.413 ' HA ' HD12 ' A' ' 110' ' ' LEU . 4.0 tmtt? -51.6 -36.04 44.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -59.9 -38.52 82.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -123.71 95.78 4.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.591 HD13 ' HB3' ' A' ' 114' ' ' LYS . 10.5 mt -149.01 173.13 13.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -73.23 -175.94 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -51.33 68.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.803 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -71.92 -48.65 43.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.591 ' HB3' HD13 ' A' ' 110' ' ' LEU . 7.2 mttt -55.64 -32.15 62.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -66.71 -53.09 37.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.25 -42.43 81.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -72.67 -31.51 65.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.91 87.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.144 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -61.95 -50.45 72.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.435 HG23 HH21 ' A' ' 123' ' ' ARG . 7.2 p -64.83 -36.12 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -50.44 71.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.563 ' HA ' HD13 ' A' ' 103' ' ' LEU . 0.7 OUTLIER -61.97 -48.69 79.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.435 HH21 HG23 ' A' ' 120' ' ' VAL . 41.6 ttp180 -53.95 -51.76 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.87 -51.01 70.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.4 m -56.92 -48.08 79.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -54.74 -47.18 74.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.9 m -60.23 -49.63 76.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.102 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.619 HD23 ' N ' ' A' ' 129' ' ' ILE . 0.1 OUTLIER -58.89 -51.81 68.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.619 ' N ' HD23 ' A' ' 128' ' ' LEU . 63.1 mt -57.8 -36.49 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -65.89 -47.07 76.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.5 mt -61.83 -51.85 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -61.35 -50.0 74.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -56.22 -39.54 72.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -64.87 -54.94 23.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -48.5 63.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.4 t -69.13 -32.89 55.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -69.3 -27.73 65.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -84.57 -46.04 11.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.883 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.865 0.364 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -51.9 -51.0 59.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.31 -53.68 47.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.8 mp -51.63 -53.07 42.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.86 -64.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.59 HG22 ' CE1' ' A' ' 105' ' ' TYR . 63.1 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.764 0.316 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -31.98 48.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' THR . . . . . 0.447 HG23 ' HB3' ' A' ' 48' ' ' LEU . 2.6 m -51.86 -27.0 11.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -69.54 -69.96 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.4 m -48.82 -45.87 41.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.458 HG21 HD21 ' A' ' 48' ' ' LEU . 1.7 mp -60.85 -49.21 85.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -59.77 -31.0 69.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 0.522 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -70.64 -55.19 9.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.764 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.6 pt -61.62 -36.71 75.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.17 -53.12 33.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -56.58 -46.23 80.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.839 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -49.53 77.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.78 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.4 tp -53.89 -55.87 22.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -52.8 -55.77 20.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.55 ' O ' HG23 ' A' ' 182' ' ' VAL . 3.3 mm-40 -52.92 -38.54 61.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -63.01 -50.49 70.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 22.3 mt -56.41 -48.3 77.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -57.84 -58.85 6.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 178' ' ' GLU . 60.6 t -54.6 -48.45 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 97.5 m -51.68 -51.37 56.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.502 HD22 ' CD1' ' A' ' 34' ' ' ILE . 6.1 tp -61.13 -38.99 88.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -66.01 -30.38 70.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 39.0 t -75.35 -52.08 11.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.817 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.402 HG22 ' HA ' ' A' ' 184' ' ' LEU . 5.3 t -58.05 -34.57 70.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.099 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.899 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.405 ' O ' HG12 ' A' ' 24' ' ' VAL . 19.9 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.893 0.377 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 63.65 24.55 13.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.964 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.33 166.41 13.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -51.69 -45.93 63.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.84 -51.32 57.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -39.95 90.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 80.9 t -61.9 -54.22 37.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.0 -52.2 52.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.35 -38.33 93.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.524 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.756 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.1 OUTLIER -66.05 -39.97 90.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.767 0.317 . . . . 0.0 110.964 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.627 HG22 HD12 ' A' ' 38' ' ' LEU . 25.5 mm -63.91 -53.21 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 t -60.15 -37.83 81.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.17 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -66.97 -55.69 13.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.565 HG22 HD11 ' A' ' 41' ' ' ILE . 7.8 p -62.13 -32.39 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.661 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.7 mt -66.62 -48.3 69.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -63.73 -41.3 98.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -62.5 -47.93 81.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.565 HD11 HG22 ' A' ' 37' ' ' VAL . 37.7 mt -60.41 -45.75 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.065 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 38' ' ' LEU . 92.2 t -59.49 -45.91 93.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -65.83 -44.65 84.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.438 ' HE1' ' HB2' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -65.77 -31.83 73.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -75.29 -49.5 19.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.784 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -29.01 66.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -60.86 -30.08 69.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.4 mt -58.09 -34.22 69.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 54.8 m -96.69 37.31 1.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 56.77 27.65 13.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.57 43.33 77.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -100.35 108.22 20.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 110.915 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.3 p -56.26 -34.08 66.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -30.76 70.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -25.94 67.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.783 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.4 mtp -66.07 -49.76 66.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -113.67 37.06 3.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -71.01 -47.73 57.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.841 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.81 31.08 0.96 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.799 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.406 ' HA ' ' HB3' ' A' ' 63' ' ' ALA . 12.5 p-10 -70.98 -23.16 62.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.09 19.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.51 HD12 ' N ' ' A' ' 63' ' ' ALA . 4.1 pp -112.52 -37.72 4.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.51 ' N ' HD12 ' A' ' 62' ' ' LEU . . . -61.89 -37.87 86.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -56.75 -26.0 56.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -109.56 27.65 9.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -132.47 24.07 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mp -102.25 -42.24 6.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 58.13 24.04 10.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.487 HD23 ' HE1' ' A' ' 99' ' ' TYR . 6.6 mp -83.89 160.61 57.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 0.0 110.922 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 C--N 1.34 0.126 0 C-N-CA 122.739 2.293 . . . . 0.0 112.305 179.952 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.737 0.303 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.583 HG23 ' CZ ' ' A' ' 179' ' ' PHE . 78.5 mt -62.22 -23.98 33.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.22 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.413 ' O ' HD12 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -66.98 -41.66 86.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.747 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.85 -52.41 60.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.802 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.04 -51.21 46.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.511 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.42 -48.87 65.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.856 0.36 . . . . 0.0 110.94 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -62.7 -49.07 76.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 179.879 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -56.12 -56.95 14.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.724 ' HB3' HD13 ' A' ' 176' ' ' LEU . 22.5 m-85 -53.87 -46.14 71.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -55.3 -47.45 75.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -36.69 84.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.749 ' HB3' HD12 ' A' ' 172' ' ' ILE . 28.5 m-85 -62.57 -63.21 1.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.1 pp -55.12 -42.58 73.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.971 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.55 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.1 mt-10 -60.47 -40.65 91.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.779 ' CD1' HG22 ' A' ' 154' ' ' THR . 3.3 t80 -65.35 -52.02 56.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.449 ' HG2' HD11 ' A' ' 110' ' ' LEU . 3.6 ttp -65.26 -27.58 68.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -68.44 -25.97 65.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -60.31 -36.96 79.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -136.73 102.66 4.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.785 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.687 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.1 mt -149.09 166.91 27.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -60.01 -175.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.67 -51.21 63.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -71.97 -47.26 53.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.687 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.7 mmtm -55.53 -36.25 66.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -68.49 -51.03 47.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -53.63 -46.45 70.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -72.14 -39.63 68.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.438 ' HB2' ' HE1' ' A' ' 44' ' ' MET . . . -54.91 -42.94 72.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -55.72 -49.45 73.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.02 -41.42 90.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.184 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.529 HD21 HG12 ' A' ' 41' ' ' ILE . 0.5 OUTLIER -59.67 -48.88 79.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -60.53 -49.59 76.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.81 -50.88 65.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -58.25 -45.0 88.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.539 HG22 HD12 ' A' ' 129' ' ' ILE . 13.6 m -56.33 -51.11 69.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -64.62 -31.25 72.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.406 ' O ' HD12 ' A' ' 131' ' ' ILE . 60.4 m -70.4 -55.71 8.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.756 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.4 pp -61.36 -35.38 77.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.539 HD12 HG22 ' A' ' 125' ' ' THR . 80.2 mt -71.89 -40.15 68.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.164 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.4 t-80 -65.4 -42.79 92.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.406 HD12 ' O ' ' A' ' 127' ' ' THR . 9.4 mt -68.3 -47.72 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -64.85 -50.01 68.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -60.48 -40.77 92.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -63.29 -48.22 79.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -58.73 -52.16 66.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.7 p -65.63 -28.84 45.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -69.07 -41.61 77.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -74.68 -37.97 62.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.3 tp . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.891 0.376 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -51.6 -50.91 59.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -51.92 -51.24 58.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.3 mp -55.79 -49.6 72.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.652 HD23 ' CE2' ' A' ' 105' ' ' TYR . 0.6 OUTLIER -53.58 -63.14 1.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.779 HG22 ' CD1' ' A' ' 105' ' ' TYR . 45.0 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 8.8 mt . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -34.6 71.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 26.0 m -52.18 -26.56 11.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -69.56 -69.79 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.5 m -48.99 -45.51 42.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.421 ' CG2' HD12 ' A' ' 173' ' ' LEU . 1.6 mp -61.32 -47.69 92.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -61.59 -31.66 71.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 0.482 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -69.74 -55.11 10.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.749 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.4 pt -61.05 -36.18 70.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.421 HD12 ' CG2' ' A' ' 169' ' ' ILE . 9.1 mt -67.42 -50.27 60.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -58.41 -47.21 84.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -45.92 91.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.834 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.724 HD13 ' HB3' ' A' ' 99' ' ' TYR . 20.5 tp -55.6 -58.09 9.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 177' ' ' GLU . . . . . 0.545 ' CD ' HG22 ' A' ' 42' ' ' VAL . 3.3 tt0 -54.31 -53.12 58.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -53.17 -49.18 67.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.583 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 67.2 t80 -64.04 -28.66 69.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.566 ' HB3' HD21 ' A' ' 38' ' ' LEU . 1.1 tp -69.55 -65.69 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -41.45 69.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 38.1 t -63.29 -52.47 58.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 26.7 m -56.69 -39.71 74.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.627 ' HG ' HG21 ' A' ' 34' ' ' ILE . 3.2 tm? -64.16 -55.65 20.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -63.06 -25.53 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 8.4 t -72.52 -48.2 42.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 184' ' ' LEU . 9.0 t -69.57 -25.02 63.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.123 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.943 0.402 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 63.62 24.4 13.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.453 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -99.35 168.08 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.3 p -51.57 -45.3 63.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.5 p -54.79 -51.63 65.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -61.09 -41.46 96.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 26' ' ' THR . 93.1 t -61.68 -54.28 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.698 ' O ' HG23 ' A' ' 35' ' ' THR . . . -55.78 -52.0 51.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.487 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.35 94.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.551 HD11 ' HB ' ' A' ' 127' ' ' THR . 0.9 OUTLIER -62.97 -48.16 80.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.33 . . . . 0.0 110.903 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.586 HG21 ' CD2' ' A' ' 184' ' ' LEU . 6.2 mm -55.73 -43.86 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.053 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 31' ' ' GLY . 28.9 p -65.23 -43.06 92.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.062 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -59.41 -55.22 37.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.719 HG22 HD11 ' A' ' 41' ' ' ILE . 8.7 p -59.93 -36.02 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.059 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.665 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -60.74 -48.28 82.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.989 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -65.1 -41.61 94.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -62.16 -45.37 93.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.719 HD11 HG22 ' A' ' 37' ' ' VAL . 36.8 mt -62.69 -46.76 95.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 38' ' ' LEU . 87.4 t -58.51 -46.56 89.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -67.07 -43.2 83.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -31.96 73.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -51.24 21.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.48 -28.89 66.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.87 -33.81 70.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.502 HD23 ' HE3' ' A' ' 114' ' ' LYS . 19.8 mt -55.75 -38.03 69.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.901 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -94.83 37.99 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 58.67 32.4 22.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.981 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.4 36.62 91.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -92.27 109.89 21.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 64.2 p -57.29 -37.36 72.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.53 -34.1 66.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.08 -25.88 67.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 43.0 mtp -70.58 -41.92 71.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -112.48 38.46 2.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.976 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.27 -61.52 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.76 23.13 14.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -83.5 -26.24 30.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.68 -56.31 23.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.08 -39.13 56.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.52 -32.2 62.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -56.04 -26.19 47.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -128.5 35.62 4.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -151.17 35.72 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.79 142.88 33.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.05 -23.56 21.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.833 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mt -77.65 154.54 81.16 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.6 0.714 . . . . 0.0 110.989 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.13 0 C-N-CA 122.666 2.244 . . . . 0.0 112.278 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.815 0.34 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 80.6 mt -95.81 -23.9 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.7 t -71.07 -40.23 71.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.0 t -53.76 -52.35 60.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.95 -48.44 60.53 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.22 -54.66 32.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 110.843 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.27 -49.17 78.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -53.55 -56.29 18.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.403 ' HB3' HD13 ' A' ' 176' ' ' LEU . 21.3 m-85 -54.5 -46.46 73.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.82 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -54.22 -47.32 72.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 p -63.57 -39.11 93.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.612 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.7 m-85 -60.91 -64.55 0.92 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 pp -54.19 -40.94 68.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.89 -31.92 73.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.751 ' CD1' HG22 ' A' ' 154' ' ' THR . 4.9 t80 -70.64 -49.77 43.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.7 ptm -72.94 -25.85 61.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.459 ' HA ' HD12 ' A' ' 110' ' ' LEU . 1.7 tmtm? -64.49 -30.57 71.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.788 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -60.08 -43.57 95.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -117.33 91.76 3.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.684 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.0 mt -146.83 178.11 8.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -78.8 -176.04 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -63.85 -51.06 66.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -69.49 -48.44 60.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.684 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.0 mmtm -55.75 -39.77 71.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -68.06 -49.76 59.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.95 -47.81 64.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -38.35 74.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.42 -43.99 75.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -55.68 -39.49 71.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 99.4 t -72.59 -38.55 59.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.459 HD11 HG13 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -66.06 -51.24 59.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.949 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -63.66 -44.37 94.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -57.63 -52.88 63.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.782 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -57.2 -47.62 80.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.636 HG22 ' CD1' ' A' ' 129' ' ' ILE . 23.3 m -53.89 -50.19 66.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -62.15 -34.48 76.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.551 ' HB ' HD11 ' A' ' 33' ' ' LEU . 20.5 m -65.78 -56.22 13.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.502 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -61.88 -32.84 73.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.636 ' CD1' HG22 ' A' ' 125' ' ' THR . 67.4 mt -71.27 -37.81 67.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.109 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.23 -40.76 74.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 65.7 mt -68.02 -50.08 62.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.537 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.5 m-85 -62.78 -48.55 78.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -62.37 -39.2 92.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -61.74 -53.72 52.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -59.02 -51.64 69.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 132' ' ' PHE . 85.2 t -60.35 -35.14 60.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -67.38 -41.49 84.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -71.31 -33.06 69.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.808 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.859 0.361 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -51.13 -49.48 60.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.26 -53.99 46.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.058 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.6 mp -51.74 -52.27 49.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.22 -64.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.751 HG22 ' CD1' ' A' ' 105' ' ' TYR . 57.2 p . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.814 0.34 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 5.4 ptt85 -67.23 -28.04 67.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.91 -26.58 6.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.35 -68.95 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.4 m -48.54 -45.09 36.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.5 mm -62.91 -45.4 98.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -63.39 -31.19 72.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.015 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -55.31 8.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.612 HD12 ' HB3' ' A' ' 102' ' ' TYR . 13.5 pt -59.29 -39.21 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 57.3 mt -67.65 -47.2 70.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -49.99 75.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 53.4 m -62.43 -41.9 99.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.403 HD13 ' HB3' ' A' ' 99' ' ' TYR . 11.4 tp -57.3 -51.23 70.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 177' ' ' GLU . . . . . 0.51 ' HA ' HD12 ' A' ' 180' ' ' LEU . 7.3 tt0 -60.73 -56.45 21.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 182' ' ' VAL . 3.1 mt-10 -52.94 -46.66 68.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.58 -38.94 89.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 177' ' ' GLU . 13.9 mt -61.32 -62.18 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -51.87 -46.5 64.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 178' ' ' GLU . 77.2 t -60.98 -49.72 83.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 52.3 m -51.79 -52.61 47.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.185 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.586 ' CD2' HG21 ' A' ' 34' ' ' ILE . 4.1 tp -59.06 -46.65 87.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 57.2 ttm-85 -60.54 -28.86 68.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 41.5 t -75.82 -51.73 11.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.794 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.2 t -62.36 -28.87 70.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.4 HG12 HG23 ' A' ' 26' ' ' THR . 34.6 t . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.876 0.369 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 63.52 26.03 14.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.4 HG23 HG12 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -94.55 162.75 13.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -51.61 -47.43 63.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.68 -51.56 54.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.933 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -60.59 -39.98 90.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.1 t -63.42 -54.18 36.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.069 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.703 ' O ' HG23 ' A' ' 35' ' ' THR . . . -55.59 -51.89 51.76 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.84 -38.0 95.26 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.55 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.654 ' O ' HG12 ' A' ' 37' ' ' VAL . 0.9 OUTLIER -67.23 -43.88 80.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.703 0.287 . . . . 0.0 110.912 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.648 ' CD1' HD22 ' A' ' 184' ' ' LEU . 75.6 mt -63.73 -37.9 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.111 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 31' ' ' GLY . 70.6 p -68.28 -46.41 70.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -60.68 -55.25 35.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.742 HG22 HD11 ' A' ' 41' ' ' ILE . 7.3 p -59.45 -39.04 78.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.9 mt -58.55 -48.75 79.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -63.31 -44.45 94.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.32 -44.71 95.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.963 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.742 HD11 HG22 ' A' ' 37' ' ' VAL . 29.7 mt -61.28 -48.1 90.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 38' ' ' LEU . 85.1 t -56.6 -52.64 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.49 -43.77 84.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.8 ttt -66.91 -31.88 72.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.503 ' HA ' HD13 ' A' ' 173' ' ' LEU . 53.9 ttp85 -73.42 -51.29 17.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.54 -28.55 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -53.9 -43.17 69.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mp -54.08 -28.73 41.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.3 31.36 2.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 t30 57.43 27.24 13.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.76 43.21 99.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -85.49 105.69 16.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 110.806 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.5 p -53.37 -29.9 36.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.38 -33.73 58.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.8 t -59.65 -27.77 66.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.0 mtp -70.47 -38.37 74.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -109.98 26.26 10.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -82.69 -62.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.55 36.28 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.93 26.3 4.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.46 -27.67 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.51 -33.84 4.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.013 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.04 -41.6 83.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.997 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -60.03 -31.51 70.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -106.52 28.98 7.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.74 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -144.0 26.3 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.45 138.8 34.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.39 -25.66 16.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.42 HD23 ' CE1' ' A' ' 99' ' ' TYR . 8.7 mp -64.03 160.71 45.39 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.656 0.741 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 C--N 1.342 0.194 0 C-N-CA 122.739 2.292 . . . . 0.0 112.283 179.904 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.5 mttm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.819 0.342 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 60.4 mt -106.62 -29.31 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.25 -49.37 75.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.7 p -56.71 -52.08 66.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.785 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.67 -51.74 56.18 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.411 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.18 -45.56 92.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.883 0.373 . . . . 0.0 110.923 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.531 HD23 ' N ' ' A' ' 98' ' ' GLU . 0.1 OUTLIER -60.34 -44.9 95.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.531 ' N ' HD23 ' A' ' 97' ' ' LEU . 44.7 mt-10 -59.65 -51.13 71.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.42 ' CE1' HD23 ' A' ' 69' ' ' LEU . 23.5 m-85 -56.44 -48.24 77.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -56.63 -47.23 80.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.7 m -64.04 -34.3 77.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.789 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.3 m-85 -64.98 -61.95 1.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.964 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 104' ' ' GLU . 1.8 pp -56.15 -41.82 76.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.513 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.0 OUTLIER -65.52 -35.83 82.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.588 ' CE1' HG22 ' A' ' 154' ' ' THR . 13.1 t80 -70.15 -52.06 26.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.974 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.634 ' HE1' HD11 ' A' ' 110' ' ' LEU . 4.7 ppp? -67.07 -26.76 66.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -64.74 -30.89 71.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -59.93 -37.0 78.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.51 96.96 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.682 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.2 mt -148.16 175.28 11.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -75.85 -178.89 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -60.14 -51.22 70.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -73.07 -47.34 45.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.682 ' CB ' HD22 ' A' ' 110' ' ' LEU . 1.1 mmmp? -55.66 -36.29 66.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -67.78 -50.07 58.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.95 -46.78 75.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -71.04 -40.12 71.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.962 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.99 -44.34 74.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.75 -49.7 72.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.5 t -60.66 -42.3 91.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -50.02 75.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.506 ' HA ' HD13 ' A' ' 103' ' ' LEU . 11.7 tm0? -59.31 -48.52 81.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -53.78 -53.15 56.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -55.72 -48.12 75.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.0 m -58.21 -49.37 77.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -54.88 -45.58 74.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.3 m -61.28 -54.52 42.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.149 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.627 HD23 ' N ' ' A' ' 129' ' ' ILE . 0.2 OUTLIER -54.36 -51.9 63.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.627 ' N ' HD23 ' A' ' 128' ' ' LEU . 60.6 mt -59.5 -36.5 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -62.8 -47.88 81.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 64.8 mt -62.53 -53.16 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -59.57 -50.05 75.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -58.51 -36.94 74.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -64.64 -50.12 68.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.6 -52.5 65.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.5 m -62.96 -32.07 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.16 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -66.98 -42.8 84.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -76.05 -27.53 57.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.967 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.527 0.062 0 CA-C-O 120.849 0.356 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -51.58 -48.04 63.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -57.0 -52.79 63.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.5 mp -51.53 -56.06 15.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.415 HD11 HG21 ' A' ' 168' ' ' THR . 3.7 mm? -52.27 -63.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.588 HG22 ' CE1' ' A' ' 105' ' ' TYR . 78.8 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 33.3 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.857 0.36 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -33.41 72.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.78 -26.5 5.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -69.58 -69.07 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.778 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 168' ' ' THR . . . . . 0.415 HG21 HD11 ' A' ' 153' ' ' LEU . 95.4 m -48.51 -44.83 36.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.222 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.1 -45.7 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.17 -32.22 73.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -55.13 10.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.789 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.7 pt -60.22 -36.12 66.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 45' ' ' ARG . 25.1 mt -67.26 -55.61 13.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -54.41 -46.55 73.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.986 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 3.6 t -61.45 -46.56 89.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.8 tp -54.32 -56.89 13.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.04 -52.89 61.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.548 ' O ' HG23 ' A' ' 182' ' ' VAL . 0.2 OUTLIER -54.33 -45.13 72.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -62.04 -37.28 84.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 2.6 mt -63.95 -59.49 4.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.03 -43.94 70.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 178' ' ' GLU . 71.1 t -64.51 -52.8 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 52.1 m -50.34 -44.83 54.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.648 HD22 ' CD1' ' A' ' 34' ' ' ILE . 4.5 tp -67.18 -45.48 76.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -25.17 66.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 47.6 t -82.35 -50.84 8.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.447 HG22 ' HA ' ' A' ' 184' ' ' LEU . 10.8 t -65.55 -14.49 61.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.176 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.842 0.353 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 63.32 25.45 14.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.012 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -93.83 166.86 11.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.15 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 p -51.5 -45.88 63.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 p -52.95 -51.92 59.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -40.14 89.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 26' ' ' THR . 92.2 t -63.59 -54.36 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.632 ' O ' HG23 ' A' ' 35' ' ' THR . . . -54.54 -52.23 46.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.54 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.5 -37.96 95.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.415 ' CD1' HG21 ' A' ' 127' ' ' THR . 1.0 OUTLIER -66.92 -50.85 61.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.957 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.571 ' CD1' HD23 ' A' ' 184' ' ' LEU . 78.1 mt -57.2 -41.78 78.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.632 HG23 ' O ' ' A' ' 31' ' ' GLY . 81.9 p -65.17 -45.96 82.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -57.15 -55.42 35.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.73 HG22 HD11 ' A' ' 41' ' ' ILE . 9.3 p -59.96 -35.83 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.224 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.664 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.9 OUTLIER -59.82 -48.43 81.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -65.55 -42.12 92.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.06 -45.66 93.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.73 HD11 HG22 ' A' ' 37' ' ' VAL . 36.4 mt -62.46 -50.09 81.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 38' ' ' LEU . 88.2 t -54.01 -54.37 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.182 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -57.75 -43.63 85.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.6 ttt -64.57 -31.8 73.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -69.74 -51.27 35.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -70.99 -28.47 64.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.35 -31.6 63.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.1 mt -58.45 -35.23 71.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 79.7 m -95.9 37.2 1.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 56.8 30.79 18.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.43 35.62 91.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -88.73 119.24 29.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.822 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.4 -33.55 74.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.77 -42.16 88.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.11 -29.86 65.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 30.6 mtp -70.19 -29.63 66.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -117.32 28.6 8.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.65 -58.14 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.49 23.56 13.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -105.13 26.31 9.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -102.79 -39.23 7.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.77 -28.79 8.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.16 -31.41 61.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.041 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -55.92 -27.94 54.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.842 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -124.18 37.42 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -149.32 28.12 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.43 134.17 39.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.951 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.26 -26.63 30.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.52 HD23 ' CE1' ' A' ' 99' ' ' TYR . 8.6 mp -66.77 160.72 66.82 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--N 1.342 0.206 0 C-N-CA 122.66 2.24 . . . . 0.0 112.378 179.857 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.0 tttt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.751 0.31 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mt 71.03 -69.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.9 -49.32 59.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.6 t -54.04 -52.59 60.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.44 -49.64 72.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.54 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -51.93 -48.3 64.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -49.45 76.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.818 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.81 -51.26 68.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.52 ' CE1' HD23 ' A' ' 69' ' ' LEU . 24.3 m-85 -57.21 -47.11 82.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -54.19 -49.26 69.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.6 t -62.71 -37.16 85.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.704 ' HB3' HD12 ' A' ' 172' ' ' ILE . 11.7 m-85 -61.45 -64.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.3 pp -54.63 -39.04 67.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.513 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.5 mm-40 -64.31 -36.66 84.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -69.39 -51.83 32.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.953 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.7 ptm -66.01 -32.76 74.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -26.24 67.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -63.39 -36.98 85.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -126.91 96.99 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.594 HD13 ' HB3' ' A' ' 114' ' ' LYS . 9.0 mt -149.0 174.31 12.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -75.97 -176.24 3.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.85 -51.1 69.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -71.52 -47.49 54.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.594 ' HB3' HD13 ' A' ' 110' ' ' LEU . 20.3 mmtm -55.82 -39.1 70.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.04 -49.11 66.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.16 -49.87 68.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -69.6 -39.66 77.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.823 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.86 -43.71 73.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.022 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -55.75 -49.31 73.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.1 t -61.69 -42.62 95.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.408 HD21 HG12 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -57.43 -48.4 79.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -62.25 -48.98 77.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -53.92 -53.25 55.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -56.65 -50.6 71.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.697 HG22 HD12 ' A' ' 129' ' ' ILE . 32.8 m -52.25 -43.94 64.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -68.23 -33.75 74.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.415 HG21 ' CD1' ' A' ' 33' ' ' LEU . 7.0 m -65.63 -56.75 10.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.442 HD12 HG13 ' A' ' 129' ' ' ILE . 0.6 OUTLIER -61.69 -43.12 99.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.697 HD12 HG22 ' A' ' 125' ' ' THR . 75.5 mt -64.33 -35.18 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.177 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -71.23 -40.47 71.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 21.4 mt -66.21 -49.3 77.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.157 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.549 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.5 m-85 -65.14 -49.02 71.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -58.41 -42.82 88.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -63.21 -53.99 44.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -57.31 -49.78 75.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 132' ' ' PHE . 87.6 t -63.57 -33.82 63.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.199 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -69.01 -36.48 77.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -73.28 -43.29 61.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.802 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.966 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.867 0.365 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ASN . . . . . 0.409 ' O ' HG23 ' A' ' 154' ' ' THR . 13.8 t-20 -51.81 -50.65 60.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.03 93.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 25.1 mt -58.66 -64.58 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 13.6 mt -51.76 -54.3 30.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 150' ' ' ASN . 68.7 p . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 9.7 tp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.738 0.304 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -80.24 -29.83 38.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.8 -26.61 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -69.54 -68.86 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.7 m -48.44 -44.78 35.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.38 -46.13 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.182 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.97 -31.35 72.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.975 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.65 -55.01 9.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.704 HD12 ' HB3' ' A' ' 102' ' ' TYR . 17.4 pt -60.28 -37.05 72.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.053 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.2 -54.9 16.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -55.21 -47.72 74.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 4.8 t -59.5 -47.88 83.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.646 HD12 HD13 ' A' ' 180' ' ' LEU . 8.8 tp -54.01 -55.74 24.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 177' ' ' GLU . . . . . 0.507 ' CD ' HG22 ' A' ' 42' ' ' VAL . 7.9 tt0 -54.0 -57.12 12.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.698 ' O ' HG23 ' A' ' 182' ' ' VAL . 5.7 mm-40 -53.67 -40.12 65.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -60.69 -52.07 66.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.646 HD13 HD12 ' A' ' 176' ' ' LEU . 7.1 mp -56.7 -43.59 80.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 181' ' ' LYS . . . . . 0.598 ' HG2' HD11 ' A' ' 38' ' ' LEU . 1.8 mtmp? -59.73 -50.15 74.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.99 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 178' ' ' GLU . 46.1 t -61.01 -49.61 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 21.5 m -57.03 -39.15 74.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.571 HD23 ' CD1' ' A' ' 34' ' ' ILE . 3.4 tm? -65.47 -55.99 14.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -62.58 -24.88 67.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 9.2 t -74.16 -48.04 31.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 12.5 t -72.03 -26.51 62.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.879 0.371 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 63.48 24.87 14.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.49 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -94.73 161.61 14.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -51.58 -47.98 63.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.6 -51.41 55.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -61.24 -38.68 87.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 26' ' ' THR . 96.0 t -62.62 -54.25 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.44 -52.04 54.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.44 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.84 -40.8 95.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.804 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -65.71 -37.81 87.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.782 0.325 . . . . 0.0 110.94 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.658 HG21 ' CD2' ' A' ' 184' ' ' LEU . 14.4 mm -63.99 -53.48 43.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.6 t -60.71 -37.97 83.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.189 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -63.02 -55.71 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.823 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.614 HG22 HD11 ' A' ' 41' ' ' ILE . 13.4 p -61.27 -32.08 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.041 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -64.61 -48.28 75.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.936 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.5 t90 -64.59 -44.69 89.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.529 ' OE2' HG21 ' A' ' 120' ' ' VAL . 1.3 mt-10 -58.78 -46.5 87.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.614 HD11 HG22 ' A' ' 37' ' ' VAL . 45.6 mt -61.83 -47.68 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 38' ' ' LEU . 99.1 t -56.05 -43.17 74.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -68.11 -41.92 81.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -32.26 73.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -49.35 22.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -70.06 -28.96 65.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -55.03 -34.27 63.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.69 -33.94 76.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.25 27.73 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.05 36.56 21.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.83 43.84 94.53 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.566 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -86.94 125.76 34.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.0 p -67.17 -39.31 86.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -35.77 80.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -57.91 -27.3 63.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.2 mtp -69.1 -47.56 64.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.817 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -104.49 33.64 3.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -85.89 -58.17 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.94 22.93 14.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.816 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -98.73 33.27 2.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.5 -32.47 5.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.18 -29.42 5.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.62 -32.63 65.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -58.35 -27.47 64.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -114.9 31.98 6.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -148.98 30.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.458 HD22 ' OG ' ' A' ' 175' ' ' SER . 0.3 OUTLIER -101.27 153.55 19.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.74 -25.97 13.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.469 HD23 ' HE1' ' A' ' 99' ' ' TYR . 8.7 mp -64.1 160.67 46.33 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.595 0.712 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.166 0 C-N-CA 122.598 2.199 . . . . 0.0 112.404 179.835 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.805 0.336 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.2 mt -118.4 -29.6 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 p -68.14 -43.99 77.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -52.3 61.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.876 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.56 -51.06 60.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.571 HD22 HG12 ' A' ' 129' ' ' ILE . 19.5 mt -53.67 -52.29 60.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.887 0.375 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.02 -47.67 80.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -53.57 46.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.469 ' HE1' HD23 ' A' ' 69' ' ' LEU . 19.8 m-85 -57.78 -44.93 86.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -57.16 -47.05 82.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.794 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -35.94 82.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.751 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.6 m-85 -63.22 -62.11 1.91 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 pp -57.01 -42.21 79.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.27 -31.31 72.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -70.7 -52.19 22.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.5 ptm -71.19 -27.89 63.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.59 ' HA ' HD12 ' A' ' 110' ' ' LEU . 2.0 tmtm? -56.17 -37.76 70.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -59.85 -41.03 90.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.01 87.05 2.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.696 HD22 ' CB ' ' A' ' 114' ' ' LYS . 8.0 mt -149.09 178.03 9.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -82.41 -175.85 5.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.74 -51.31 67.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -65.68 -51.87 56.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.696 ' CB ' HD22 ' A' ' 110' ' ' LEU . 22.4 mmtm -55.7 -33.85 64.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -50.93 61.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -45.31 86.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -70.6 -32.85 70.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.5 -36.25 80.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -65.37 -50.75 64.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.529 HG21 ' OE2' ' A' ' 40' ' ' GLU . 6.4 p -63.69 -38.66 82.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.29 -49.16 75.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.65 -49.79 76.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.3 mtp85 -54.74 -53.07 59.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -54.47 -47.29 73.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.544 HG22 ' CD1' ' A' ' 129' ' ' ILE . 6.5 m -58.93 -50.09 75.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -56.45 -37.17 69.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 89.1 m -66.34 -56.48 10.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.169 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.804 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -58.1 -31.27 66.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.965 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.571 HG12 HD22 ' A' ' 96' ' ' LEU . 76.7 mt -73.47 -41.3 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -44.79 93.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.4 mt -68.31 -53.24 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.623 ' O ' HG23 ' A' ' 136' ' ' VAL . 5.3 m-85 -57.26 -50.11 73.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -62.96 -39.18 93.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -56.82 -52.84 63.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.35 -52.54 61.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 132' ' ' PHE . 94.9 t -53.55 -42.16 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -69.24 -37.83 78.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -72.17 -19.99 61.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.792 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.897 0.38 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -50.76 -51.02 54.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.3 -46.17 76.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 18.1 mt -55.97 -55.52 31.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.568 HD11 HG21 ' A' ' 168' ' ' THR . 4.0 mm? -53.5 -62.58 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.954 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 69.6 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.926 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.76 0.314 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -80.98 -27.91 35.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.979 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.8 -26.44 5.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.16 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -69.47 -69.09 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 168' ' ' THR . . . . . 0.568 HG21 HD11 ' A' ' 153' ' ' LEU . 85.7 m -48.54 -45.46 37.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.0 mm -62.33 -46.17 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -62.46 -32.53 73.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -55.16 11.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.751 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.4 pt -60.49 -36.02 66.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.07 -51.72 50.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -58.99 -44.95 91.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.458 ' OG ' HD22 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -61.83 -44.57 96.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.412 HD22 ' HB3' ' A' ' 99' ' ' TYR . 9.0 tp -58.68 -58.06 10.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.11 -56.0 19.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.593 ' O ' HG13 ' A' ' 182' ' ' VAL . 8.1 mm-40 -55.73 -39.99 71.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -66.45 -30.55 70.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.426 ' HB3' HD21 ' A' ' 38' ' ' LEU . 57.5 mt -72.05 -51.8 19.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.9 -44.45 91.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 178' ' ' GLU . 18.6 m -69.2 -36.54 73.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.5 m -60.9 -48.6 81.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.149 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.658 ' CD2' HG21 ' A' ' 34' ' ' ILE . 4.9 tp -69.52 -44.86 70.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -60.76 -28.88 69.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 8.5 t -82.61 -49.75 9.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.504 HG22 ' HA ' ' A' ' 184' ' ' LEU . 5.0 t -63.63 -15.78 59.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 4.4 mtm-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.552 HG13 HG23 ' A' ' 26' ' ' THR . 9.0 p . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.89 0.376 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 64.7 47.16 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.552 HG23 HG13 ' A' ' 24' ' ' VAL . 71.1 p -119.79 158.94 25.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.167 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.74 -35.56 32.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -45.64 70.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.51 -51.16 70.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.415 HG23 ' N ' ' A' ' 31' ' ' GLY . 21.3 m -61.5 -42.58 94.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.415 ' N ' HG23 ' A' ' 30' ' ' VAL . . . -58.19 -52.42 52.66 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.558 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.26 -38.01 95.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.521 HD21 ' O ' ' A' ' 124' ' ' ASP . 1.3 tt -68.05 -34.28 76.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.339 . . . . 0.0 110.963 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.733 HG21 ' HG ' ' A' ' 184' ' ' LEU . 13.2 mm -69.11 -49.01 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 t -63.86 -40.43 96.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.187 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -65.17 -55.37 19.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.52 HG22 HD11 ' A' ' 41' ' ' ILE . 9.6 p -59.85 -32.87 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.559 ' O ' HG23 ' A' ' 42' ' ' VAL . 10.5 mt -65.77 -48.66 71.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -62.92 -41.94 99.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -62.58 -46.07 90.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.52 HD11 HG22 ' A' ' 37' ' ' VAL . 34.8 mt -59.51 -47.69 89.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 38' ' ' LEU . 84.1 t -58.21 -55.35 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -59.37 -44.45 92.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.7 ttt -63.72 -31.7 72.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -51.33 32.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.813 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -70.43 -28.31 64.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.09 -30.83 64.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.415 HD23 ' HE3' ' A' ' 114' ' ' LYS . 26.1 mt -58.36 -34.14 70.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 92.5 m -95.52 35.81 1.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 t30 60.23 28.05 17.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.03 39.92 97.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -94.74 112.4 24.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 t -55.47 -26.84 44.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.785 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -63.15 -42.6 99.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.2 t -58.03 -35.47 71.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 19.9 mtp -54.98 -39.69 69.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -120.22 31.84 6.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -85.3 -63.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.71 27.7 6.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.8 27.66 3.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.9 -31.93 9.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.14 -35.47 4.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.969 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.424 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -52.88 -28.72 24.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -57.17 -26.18 60.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -125.46 30.41 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -143.74 25.89 1.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.631 HD22 HD12 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -96.25 -47.96 5.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.03 23.04 9.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.631 HD12 HD22 ' A' ' 67' ' ' LEU . 20.2 mt -84.19 159.26 59.83 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.635 0.731 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.63 2.22 . . . . 0.0 112.382 179.902 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.0 mptt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.819 0.342 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.8 mt -108.29 -24.56 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.071 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.473 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -70.85 -46.74 62.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.81 -179.833 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.5 p -53.83 -52.33 60.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.911 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.31 -49.73 71.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.6 mp -56.86 -45.17 82.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.371 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 93' ' ' SER . 0.3 OUTLIER -60.85 -49.31 77.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.2 -54.42 45.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -53.88 -48.13 70.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -54.34 -49.17 70.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.821 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.1 m -61.56 -35.53 78.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.739 ' HB3' HD12 ' A' ' 172' ' ' ILE . 24.7 m-85 -64.15 -64.45 0.88 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.603 HD13 ' HA ' ' A' ' 122' ' ' GLN . 2.3 pp -53.22 -38.75 63.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.577 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.9 OUTLIER -65.85 -39.27 90.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.708 ' CD2' HD13 ' A' ' 153' ' ' LEU . 34.3 t80 -67.56 -37.6 82.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.444 ' HG2' HD11 ' A' ' 110' ' ' LEU . 2.8 ttt -74.95 -37.72 61.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.806 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -25.95 64.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.974 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -59.93 -41.21 91.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -129.66 98.67 4.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.642 HD22 ' CB ' ' A' ' 114' ' ' LYS . 8.5 mt -147.23 176.69 9.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -82.1 -175.95 5.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.82 -51.26 68.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -69.17 -49.75 53.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.642 ' CB ' HD22 ' A' ' 110' ' ' LEU . 22.1 mmtm -55.65 -35.8 66.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.89 -48.91 64.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.34 -46.75 79.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -70.73 -42.29 70.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.4 -40.67 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -55.71 -43.32 76.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.2 t -73.03 -34.62 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.477 HD11 ' N ' ' A' ' 41' ' ' ILE . 0.5 OUTLIER -67.09 -50.72 60.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.603 ' HA ' HD13 ' A' ' 103' ' ' LEU . 1.6 pp0? -66.62 -44.22 82.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -58.19 -53.48 57.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.521 ' O ' HD21 ' A' ' 33' ' ' LEU . 9.3 m-20 -58.99 -48.76 80.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.666 HG22 HD12 ' A' ' 129' ' ' ILE . 90.7 m -52.99 -45.14 67.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -35.37 80.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.3 m -67.6 -56.56 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.1 pp -60.54 -37.11 80.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.666 HD12 HG22 ' A' ' 125' ' ' THR . 46.0 mt -70.16 -36.35 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -67.21 -44.51 79.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.7 mt -67.38 -52.12 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.439 ' O ' HG23 ' A' ' 136' ' ' VAL . 2.8 m-85 -58.51 -50.24 74.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -61.37 -40.57 94.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -59.5 -47.63 84.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -62.52 -52.29 64.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 132' ' ' PHE . 62.6 t -58.91 -41.33 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -69.16 -38.15 78.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -65.39 -37.24 86.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.894 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.9 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.5 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.886 0.374 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ASN . . . . . 0.446 ' O ' HG23 ' A' ' 154' ' ' THR . 10.8 t30 -54.49 -37.65 65.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.811 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.53 85.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 12.3 mt -61.85 -52.85 62.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.708 HD13 ' CD2' ' A' ' 105' ' ' TYR . 47.8 mt -59.55 -53.21 60.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 150' ' ' ASN . 69.4 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.904 0.383 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -30.38 71.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.765 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.52 -26.62 5.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.1 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -69.76 -68.74 0.39 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 94.5 m -48.2 -44.34 32.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 37.8 mm -63.04 -51.99 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -56.1 -31.68 63.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.53 -55.31 8.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.739 HD12 ' HB3' ' A' ' 102' ' ' TYR . 26.6 pt -62.35 -35.68 70.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.77 -52.82 32.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -58.49 -46.12 87.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 4.8 t -60.31 -51.66 68.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.809 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.2 tp -52.79 -57.0 11.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 177' ' ' GLU . . . . . 0.428 ' HA ' HD12 ' A' ' 180' ' ' LEU . 1.7 tm-20 -51.76 -52.09 51.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.596 ' O ' HG13 ' A' ' 182' ' ' VAL . 2.8 mt-10 -57.09 -38.95 74.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.426 ' HA ' HG22 ' A' ' 182' ' ' VAL . 25.0 t80 -68.89 -30.29 68.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 177' ' ' GLU . 4.6 mt -72.46 -47.51 48.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -63.5 -45.19 91.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 178' ' ' GLU . 21.1 m -67.38 -36.49 76.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.488 ' O ' HG22 ' A' ' 187' ' ' THR . 18.8 m -71.81 -35.05 69.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.733 ' HG ' HG21 ' A' ' 34' ' ' ILE . 1.3 tm? -71.76 -42.49 67.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -74.38 -32.59 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.82 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 27.2 t -71.56 -52.1 19.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 183' ' ' THR . 13.8 t -63.92 -25.04 67.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.761 -179.888 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 24' ' ' VAL . 16.0 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 63.77 25.4 14.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.5 HG23 ' H ' ' A' ' 29' ' ' GLN . 4.6 t -87.54 161.53 17.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.239 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -51.46 -46.85 63.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.225 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 t -51.66 -51.45 55.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.793 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.5 ' H ' HG23 ' A' ' 26' ' ' THR . 4.7 tm0? -60.44 -39.06 86.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.66 -54.37 34.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.65 -52.02 53.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.536 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.71 -38.92 94.56 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.546 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.785 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -66.83 -37.77 85.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 0.0 110.983 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.512 ' N ' HD23 ' A' ' 33' ' ' LEU . 21.3 mm -65.24 -51.57 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.129 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 t -61.93 -38.83 89.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.183 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -63.08 -55.49 24.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.631 HG22 HD11 ' A' ' 41' ' ' ILE . 11.7 p -61.22 -31.92 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.644 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.3 mm? -65.31 -48.2 73.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.7 t90 -65.07 -42.02 94.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -60.78 -48.53 81.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.631 HD11 HG22 ' A' ' 37' ' ' VAL . 40.8 mt -60.83 -50.16 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 38' ' ' LEU . 86.3 t -53.31 -58.75 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.18 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.01 -45.04 71.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.3 ttp -61.42 -31.98 71.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.79 -50.34 30.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -68.54 -28.9 67.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -55.09 -39.84 69.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.3 mt -54.53 -32.37 58.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 67.6 m -96.43 40.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 54.85 28.05 9.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.81 40.83 51.61 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.543 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -99.37 111.24 23.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 110.828 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.75 -28.66 69.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.799 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -26.56 64.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.75 -31.37 72.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.3 mmm -61.55 -31.52 71.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -122.69 29.57 6.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -86.02 -69.81 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.468 ' OD2' HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -99.78 27.88 5.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -81.07 -26.09 36.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.86 -65.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.468 HD21 ' OD2' ' A' ' 59' ' ' ASP . 2.7 pp -61.04 -40.1 92.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.671 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -58.07 -33.15 68.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -53.57 -28.44 31.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.822 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -111.42 29.86 7.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -142.93 26.81 1.68 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -113.03 135.68 53.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.999 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.97 25.82 2.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.8 mp -82.9 160.67 60.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.497 0.665 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.155 0 C-N-CA 122.66 2.24 . . . . 0.0 112.376 179.849 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.745 0.307 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.5 mt 71.01 -69.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.205 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.87 -49.93 58.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 t -54.66 -52.25 62.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.71 -48.87 84.07 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.434 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.455 HD13 HG12 ' A' ' 129' ' ' ILE . 16.7 mt -52.35 -50.05 63.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 110.907 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.01 -49.09 79.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.06 -53.14 59.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.811 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.604 ' HB3' HD13 ' A' ' 176' ' ' LEU . 25.8 m-85 -56.9 -47.41 80.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -54.53 -48.46 71.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -37.35 86.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.786 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.1 m-85 -62.1 -64.41 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.1 pp -54.65 -39.88 68.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.985 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.478 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.4 mt-10 -66.39 -36.31 82.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.719 ' CD1' HG22 ' A' ' 154' ' ' THR . 5.9 t80 -66.54 -52.02 50.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.974 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.749 ' CE ' HD11 ' A' ' 110' ' ' LEU . 10.0 ptm -71.03 -25.92 62.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.881 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.675 ' HA ' HD12 ' A' ' 110' ' ' LEU . 7.1 tmtt? -51.68 -45.2 63.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.82 -37.32 78.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -106.82 78.67 1.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.749 HD11 ' CE ' ' A' ' 106' ' ' MET . 11.9 mt -149.05 178.04 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -82.34 -175.87 5.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -51.3 69.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.64 -51.41 56.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.567 ' CB ' HD22 ' A' ' 110' ' ' LEU . 8.8 mttt -55.69 -36.31 67.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.826 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -68.0 -53.01 29.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.07 -47.2 65.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -71.63 -37.35 70.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.74 -46.78 74.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -55.71 -43.01 76.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.7 t -67.61 -34.41 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.056 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.56 HD21 HG12 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -67.14 -50.92 59.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -62.29 -43.15 99.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -60.91 -51.66 68.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.812 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -56.36 -47.04 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.737 HG22 ' CD1' ' A' ' 129' ' ' ILE . 8.9 m -57.68 -51.02 71.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -57.42 -37.22 72.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 96.2 m -66.45 -55.73 14.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.183 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.785 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -60.28 -30.63 69.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.737 ' CD1' HG22 ' A' ' 125' ' ' THR . 51.5 mt -71.54 -44.94 70.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.072 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -40.8 96.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 24.1 mt -67.62 -50.67 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.086 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.522 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.8 m-85 -63.99 -46.82 82.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.815 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -61.73 -40.6 95.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -62.82 -53.94 46.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -52.02 65.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.81 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 132' ' ' PHE . 92.7 t -60.37 -47.77 91.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.102 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -53.0 -45.28 67.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -70.02 -34.64 73.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 10.1 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.021 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.862 0.363 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -50.76 -51.01 54.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.0 -49.31 71.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 11.2 mp -53.4 -56.06 19.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.61 -63.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.719 HG22 ' CD1' ' A' ' 105' ' ' TYR . 59.4 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.263 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.791 0.329 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -81.52 -39.11 25.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.12 -27.08 12.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.074 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -69.43 -69.84 0.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 90.4 m -48.94 -44.08 40.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.4 -46.25 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.189 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -60.75 -33.91 73.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -69.59 -55.41 10.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.786 HD12 ' HB3' ' A' ' 102' ' ' TYR . 20.1 pt -60.78 -36.02 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 18.4 mt -67.14 -51.99 47.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' LYS . . . . . 0.402 ' HZ1' HD11 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -56.56 -48.95 76.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -42.34 99.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.791 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.604 HD13 ' HB3' ' A' ' 99' ' ' TYR . 9.5 tp -56.16 -55.37 33.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.17 -55.04 40.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.654 ' O ' HG23 ' A' ' 182' ' ' VAL . 4.3 mt-10 -52.83 -42.39 65.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -60.66 -50.75 72.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 35.3 mt -54.7 -48.57 72.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 181' ' ' LYS . . . . . 0.546 ' HG3' HD11 ' A' ' 38' ' ' LEU . 52.6 mtmt -59.98 -52.28 66.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 178' ' ' GLU . 96.0 t -57.21 -43.55 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 35.4 m -59.72 -48.15 82.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.155 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.497 HD23 HG13 ' A' ' 34' ' ' ILE . 1.2 tm? -58.73 -56.01 27.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -61.78 -26.49 68.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 28.8 t -73.63 -48.58 31.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 184' ' ' LEU . 9.3 t -69.15 -25.17 64.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.14 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.572 ' HB ' HG22 ' A' ' 26' ' ' THR . 21.8 t . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.815 0.341 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 63.51 22.49 13.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.572 HG22 ' HB ' ' A' ' 24' ' ' VAL . 6.3 t -95.5 164.78 12.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 p -49.94 -46.9 52.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.171 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.1 m -55.27 -51.35 66.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.805 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.519 ' H ' HG23 ' A' ' 26' ' ' THR . 4.0 tm0? -60.52 -37.04 79.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 26' ' ' THR . 88.7 t -63.46 -54.48 32.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.713 ' O ' HG23 ' A' ' 35' ' ' THR . . . -57.82 -52.25 53.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.504 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.57 -42.08 95.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.443 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.577 HD21 ' HB3' ' A' ' 128' ' ' LEU . 1.1 tt -63.53 -47.36 81.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.322 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.474 ' N ' HD23 ' A' ' 33' ' ' LEU . 21.3 mm -56.99 -43.38 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 31' ' ' GLY . 28.9 p -64.45 -44.75 90.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -58.18 -55.5 34.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.773 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.737 HG22 HD11 ' A' ' 41' ' ' ILE . 9.9 p -60.77 -36.32 70.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.664 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.5 mp -59.13 -48.28 82.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -66.22 -42.87 88.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -60.1 -43.66 95.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.737 HD11 HG22 ' A' ' 37' ' ' VAL . 33.5 mt -64.29 -49.57 80.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 38' ' ' LEU . 85.4 t -54.0 -54.59 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -59.12 -44.25 91.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.9 ttt -62.74 -31.61 72.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.627 ' HA ' HD23 ' A' ' 173' ' ' LEU . 4.9 ttt180 -71.26 -51.25 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -69.35 -28.41 66.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -58.97 -32.63 69.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.459 HD23 ' HE3' ' A' ' 114' ' ' LYS . 26.9 mt -55.85 -33.94 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 30.9 m -97.11 37.02 1.36 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.816 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 63.19 26.67 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.28 36.18 92.46 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -91.28 111.87 23.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.88 0.371 . . . . 0.0 110.805 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.19 -30.68 28.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.964 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.71 -43.43 80.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -57.19 -26.05 60.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.4 mtp -69.68 -51.75 31.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.32 43.15 1.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.82 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.03 -49.09 6.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.527 ' OD2' HD11 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -133.5 26.9 4.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -74.85 -27.44 60.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.34 -26.08 51.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.527 HD11 ' OD2' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -115.59 -38.18 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.91 -38.49 75.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -53.92 -32.9 55.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -115.91 33.53 5.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -143.53 26.24 1.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.04 134.65 37.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.49 -26.59 30.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.519 HD23 ' CE1' ' A' ' 99' ' ' TYR . 8.4 mp -65.73 160.63 59.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.694 0.759 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.193 0 C-N-CA 122.721 2.281 . . . . 0.0 112.334 179.898 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.4 mttt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.781 0.324 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.3 mt 70.97 -69.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -50.02 74.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.798 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -52.81 62.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.792 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.17 -47.37 90.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.527 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 mp -54.62 -47.93 72.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.877 0.37 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -49.53 76.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -49.08 78.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.519 ' CE1' HD23 ' A' ' 69' ' ' LEU . 16.6 m-85 -56.49 -51.26 69.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.488 ' HA ' HD21 ' A' ' 103' ' ' LEU . 61.4 t-80 -54.48 -45.18 73.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.49 -38.46 89.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.592 ' HB3' HD12 ' A' ' 172' ' ' ILE . 23.1 m-85 -65.45 -64.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 122' ' ' GLN . 1.9 pp -51.0 -39.99 57.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.443 ' N ' HD12 ' A' ' 103' ' ' LEU . 23.4 tt0 -67.44 -38.07 83.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -63.45 -46.69 85.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.7 ptm -75.12 -31.2 61.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.49 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -66.77 -27.5 67.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -59.75 -33.02 71.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -136.07 95.48 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.693 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.9 mt -145.37 178.08 8.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.88 -176.03 3.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.53 -51.3 66.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -68.17 -50.04 56.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.693 ' CB ' HD22 ' A' ' 110' ' ' LEU . 20.8 mmtm -55.79 -33.77 64.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.9 -48.91 51.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.986 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -55.55 -46.37 77.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.6 mmpp? -71.25 -41.71 69.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.88 -42.03 71.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -41.37 73.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 98.0 t -72.27 -36.81 56.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.206 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.433 HD11 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -66.96 -51.28 57.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.5 ' HA ' HD13 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -64.5 -44.22 91.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -58.39 -52.83 63.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -57.45 -47.94 80.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.478 HG22 HD12 ' A' ' 129' ' ' ILE . 29.6 m -54.18 -48.17 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -63.0 -35.31 79.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.54 HG22 HD11 ' A' ' 131' ' ' ILE . 4.7 m -65.43 -56.36 12.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.065 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.577 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -61.18 -34.02 74.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.478 HD12 HG22 ' A' ' 125' ' ' THR . 53.6 mt -69.99 -37.78 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.171 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -71.36 -37.37 71.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.54 HD11 HG22 ' A' ' 127' ' ' THR . 8.4 mt -68.84 -49.72 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.072 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.556 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.5 m-85 -65.64 -46.2 80.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -62.38 -41.5 98.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -63.17 -52.9 60.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.95 -52.23 66.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.812 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 132' ' ' PHE . 88.5 t -59.71 -50.38 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -52.4 -44.88 65.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.09 -32.58 70.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.687 ' O ' HD12 ' A' ' 153' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.803 0.335 . . . . 0.0 110.778 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -51.07 -47.79 61.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.02 -35.82 75.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 42.4 mt -65.63 -57.54 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.687 HD12 ' O ' ' A' ' 149' ' ' SER . 1.2 mp -54.33 -52.57 61.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 67.8 p . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.24 179.868 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.723 0.297 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -52.27 -30.78 29.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 3.8 m -50.69 -26.43 5.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -69.71 -68.87 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.5 m -48.46 -45.76 37.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.8 mm -61.88 -49.97 82.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -62.04 -29.43 70.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -55.26 10.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.592 HD12 ' HB3' ' A' ' 102' ' ' TYR . 21.1 pt -60.94 -35.92 68.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.627 HD23 ' HA ' ' A' ' 45' ' ' ARG . 0.9 OUTLIER -66.78 -51.88 50.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -57.3 -48.47 78.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.91 -41.85 96.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.516 HD11 HD11 ' A' ' 180' ' ' LEU . 7.8 tp -58.95 -58.15 9.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 177' ' ' GLU . . . . . 0.563 ' OE1' HG22 ' A' ' 42' ' ' VAL . 1.5 tt0 -52.92 -52.13 58.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.583 ' O ' HG23 ' A' ' 182' ' ' VAL . 68.0 mt-10 -57.81 -46.41 84.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.95 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -62.57 -31.15 71.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.929 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.516 HD11 HD11 ' A' ' 176' ' ' LEU . 37.0 mt -69.8 -56.65 6.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 181' ' ' LYS . . . . . 0.485 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -56.69 -42.17 78.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.961 179.777 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 178' ' ' GLU . 82.1 t -63.92 -52.83 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.006 0.432 . . . . 0.0 111.198 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 83.6 m -53.26 -46.9 69.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.175 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.414 ' C ' HD13 ' A' ' 184' ' ' LEU . 2.1 tm? -61.44 -52.35 64.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -59.41 -31.73 69.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 35.4 t -70.1 -50.29 42.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 184' ' ' LEU . 10.0 t -67.88 -24.69 65.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.103 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.909 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.813 0.34 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 57.2 33.86 23.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.711 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -110.71 166.99 10.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.2 p -51.5 -46.2 63.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.199 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.9 m -56.81 -51.51 68.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -61.66 -39.29 90.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 26' ' ' THR . 97.9 t -62.01 -54.21 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.706 ' O ' HG23 ' A' ' 35' ' ' THR . . . -57.99 -51.77 56.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.8 -41.72 94.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.568 HD21 HD23 ' A' ' 128' ' ' LEU . 0.6 OUTLIER -64.15 -50.89 66.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.343 . . . . 0.0 110.973 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.565 HG22 HD12 ' A' ' 38' ' ' LEU . 20.9 mm -53.95 -44.02 60.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.706 HG23 ' O ' ' A' ' 31' ' ' GLY . 31.1 p -64.7 -45.29 87.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -62.61 -55.26 28.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.779 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.583 HG22 HD11 ' A' ' 41' ' ' ILE . 9.6 p -59.24 -33.89 52.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.617 HD21 ' HB3' ' A' ' 180' ' ' LEU . 10.7 mt -64.77 -48.48 74.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.977 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -63.4 -41.03 98.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -62.4 -46.07 90.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.583 HD11 HG22 ' A' ' 37' ' ' VAL . 26.4 mt -60.83 -48.0 90.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.16 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 38' ' ' LEU . 90.4 t -57.32 -52.76 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -57.76 -44.13 85.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.412 ' O ' HD13 ' A' ' 48' ' ' LEU . 4.7 ttp -66.57 -31.8 72.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.831 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.668 ' HA ' HD23 ' A' ' 173' ' ' LEU . 0.1 OUTLIER -73.58 -51.27 17.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.54 -28.66 66.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -54.62 -41.2 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.816 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.46 HD12 ' HE3' ' A' ' 114' ' ' LYS . 9.0 mp -53.94 -28.2 35.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.4 m -96.48 32.02 2.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t30 61.49 26.7 16.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.03 42.18 94.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.447 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -99.78 107.38 19.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.338 . . . . 0.0 110.83 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.0 m -52.94 -30.57 35.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -43.45 98.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.828 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -54.1 -33.75 58.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.5 mtp -56.93 -32.09 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -121.54 26.54 8.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -93.11 -57.25 2.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -98.92 26.61 5.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -103.17 27.76 6.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.47 -32.76 6.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.24 -37.3 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.401 ' HB1' ' CE1' ' A' ' 171' ' ' PHE . . . -55.01 -40.97 70.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.417 ' HA ' HD12 ' A' ' 67' ' ' LEU . 10.8 tt0 -55.69 -26.24 43.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -107.09 26.3 10.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -150.55 25.16 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 64' ' ' GLU . 1.2 mt -97.77 -50.79 4.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.68 21.92 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.978 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.447 HD23 ' HE1' ' A' ' 99' ' ' TYR . 6.6 mp -83.97 160.64 57.52 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.556 0.693 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.742 2.294 . . . . 0.0 112.245 179.845 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.776 0.322 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.4 mt 70.98 -69.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.237 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.9 m -51.14 -48.06 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 m -61.33 -52.29 65.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.37 -51.06 59.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.771 HD12 HD11 ' A' ' 129' ' ' ILE . 3.0 mm? -55.44 -49.41 72.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 110.931 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 97' ' ' LEU . 1.4 mm? -55.39 -49.35 72.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -55.28 34.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.447 ' HE1' HD23 ' A' ' 69' ' ' LEU . 24.0 m-85 -57.12 -42.93 81.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -55.71 -48.96 74.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.9 -39.94 95.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.789 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.409 ' HB3' HD12 ' A' ' 172' ' ' ILE . 16.0 m-85 -61.6 -64.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 104' ' ' GLU . 3.7 pp -54.17 -37.46 64.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.468 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.7 mm-40 -63.66 -40.5 96.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.531 ' CE1' HG23 ' A' ' 154' ' ' THR . 5.9 t80 -66.68 -52.3 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.9 ptm -65.94 -25.99 67.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -27.73 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.38 -37.96 82.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -127.67 97.73 4.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.688 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.9 mt -145.45 178.02 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -77.23 -175.92 3.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.84 -51.25 67.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -72.22 -47.74 48.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.688 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.4 mmtm -55.59 -34.59 64.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.921 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.65 -45.2 75.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -46.03 92.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.813 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -71.66 -32.6 68.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.08 -39.06 86.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -62.36 -50.42 71.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.25 -35.55 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.165 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.407 HD21 ' HA ' ' A' ' 41' ' ' ILE . 1.9 mp -62.61 -50.27 71.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.996 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -48.7 78.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.943 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -53.71 -52.89 58.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.424 ' HA ' HD11 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -56.72 -52.86 63.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.824 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.572 HG22 ' CD1' ' A' ' 129' ' ' ILE . 12.8 m -51.76 -40.63 60.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -68.27 -37.34 80.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.48 ' O ' HD12 ' A' ' 131' ' ' ILE . 3.0 m -63.66 -56.75 13.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.164 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.568 HD23 HD21 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -59.6 -44.78 93.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.771 HD11 HD12 ' A' ' 96' ' ' LEU . 62.4 mt -59.8 -39.73 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -66.44 -45.54 79.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 127' ' ' THR . 6.0 mt -65.05 -46.61 90.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -65.75 -48.08 73.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -58.46 -43.46 88.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -64.45 -47.07 80.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -57.12 -52.0 67.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.15 -27.76 38.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -69.02 -39.26 79.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -77.54 -45.83 24.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.815 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 23.8 tp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 -179.923 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.99 0.424 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -51.49 -50.96 58.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -52.03 -46.49 65.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.12 -49.39 77.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.514 HD23 ' CE2' ' A' ' 105' ' ' TYR . 0.6 OUTLIER -53.72 -61.61 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.531 HG23 ' CE1' ' A' ' 105' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.6 tp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.754 0.311 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -37.08 57.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.22 -26.87 12.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -69.44 -69.89 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 34.7 m -49.03 -44.46 41.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.3 -48.71 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -61.85 -29.01 69.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 0.401 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -71.45 -55.48 7.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.859 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.409 HD12 ' HB3' ' A' ' 102' ' ' TYR . 17.9 pt -59.15 -37.17 66.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.668 HD23 ' HA ' ' A' ' 45' ' ' ARG . 0.9 OUTLIER -67.88 -51.1 52.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -59.56 -51.92 67.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 47.2 p -58.98 -44.66 91.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.824 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.0 tp -56.24 -58.06 9.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 177' ' ' GLU . . . . . 0.403 ' HG3' HG22 ' A' ' 42' ' ' VAL . 6.4 tm-20 -52.88 -54.34 36.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 182' ' ' VAL . 0.8 OUTLIER -52.96 -49.99 64.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.903 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -60.92 -30.96 70.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.617 ' HB3' HD21 ' A' ' 38' ' ' LEU . 1.2 tp -67.58 -59.11 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -55.89 -43.87 77.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 178' ' ' GLU . 98.8 t -62.03 -46.21 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.471 ' O ' HG22 ' A' ' 187' ' ' THR . 88.2 m -64.84 -31.31 72.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.493 ' HG ' HG21 ' A' ' 34' ' ' ILE . 1.5 tm? -70.7 -47.96 57.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -74.48 -24.4 59.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.0 m -77.4 -52.11 9.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 183' ' ' THR . 14.6 t -63.32 -24.02 67.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.061 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.726 HG13 HG22 ' A' ' 26' ' ' THR . 7.5 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.789 0.328 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 61.25 58.56 2.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.726 HG22 HG13 ' A' ' 24' ' ' VAL . 9.3 t -123.29 167.23 14.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.13 -44.5 52.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -51.72 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.444 ' H ' HG23 ' A' ' 26' ' ' THR . 0.0 OUTLIER -61.72 -41.19 97.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 26' ' ' THR . 58.3 t -61.25 -54.24 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.168 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.73 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.82 -51.87 54.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.8 -41.59 94.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.3 -46.28 87.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.547 HG13 HD23 ' A' ' 184' ' ' LEU . 26.1 mm -58.97 -41.83 84.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 31' ' ' GLY . 25.3 p -65.1 -43.99 90.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.195 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -61.7 -55.17 33.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.645 HG22 HD11 ' A' ' 41' ' ' ILE . 13.9 p -59.31 -35.52 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.064 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.559 ' O ' HG23 ' A' ' 42' ' ' VAL . 10.1 mt -62.51 -48.81 77.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -63.18 -42.16 99.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.85 -45.24 95.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.645 HD11 HG22 ' A' ' 37' ' ' VAL . 22.7 mt -61.54 -46.9 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.224 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 38' ' ' LEU . 88.4 t -58.23 -46.26 88.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.038 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -43.76 83.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.2 ttt -65.22 -31.9 73.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.711 ' HA ' HD23 ' A' ' 173' ' ' LEU . 16.3 ttp85 -72.57 -51.18 20.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.837 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -28.76 66.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.5 -36.05 66.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.461 HD12 ' NZ ' ' A' ' 114' ' ' LYS . 7.9 mp -59.3 -26.27 64.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.57 29.78 5.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.4 t30 61.61 36.4 16.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.69 48.18 83.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.452 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -98.79 107.33 19.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.859 0.362 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 98.1 p -57.77 -31.5 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.78 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -35.39 74.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.7 t -57.06 -26.61 60.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.4 mtp -62.17 -51.56 67.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.964 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -104.24 36.89 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -90.98 -52.54 4.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -105.98 35.58 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 55.6 p-10 -96.64 26.22 4.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.787 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.29 -29.68 10.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.059 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.81 -33.39 4.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.54 -29.87 70.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -62.08 -26.89 68.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -121.09 33.04 5.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.955 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -146.29 26.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.784 HD22 HD12 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -99.59 -50.59 4.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.52 24.84 9.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.784 HD12 HD22 ' A' ' 67' ' ' LEU . 20.4 mt -84.08 159.3 60.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.652 0.739 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.209 0 C-N-CA 122.696 2.264 . . . . 0.0 112.318 179.923 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 mttt . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.684 0.278 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.5 mt 71.67 -66.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.14 -42.32 50.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.807 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 94.9 p -60.65 -50.68 72.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.04 -52.33 53.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.693 HD13 HD11 ' A' ' 128' ' ' LEU . 26.7 mt -62.61 -33.74 75.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.886 0.374 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.4 tp -64.79 -49.43 70.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.06 -49.44 75.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.83 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.513 ' HB3' HD13 ' A' ' 176' ' ' LEU . 20.9 m-85 -58.2 -43.49 87.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.964 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.465 ' HA ' HD21 ' A' ' 103' ' ' LEU . 40.7 t-80 -60.63 -45.16 95.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 t -62.98 -39.7 95.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.459 ' HB3' HD12 ' A' ' 172' ' ' ILE . 20.6 m-85 -64.36 -64.5 0.86 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 104' ' ' GLU . 3.6 pp -51.77 -39.33 58.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.533 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.9 mm-40 -63.69 -43.4 96.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.401 ' CE1' HG22 ' A' ' 154' ' ' THR . 7.3 t80 -62.38 -41.31 98.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 33.6 ttp -68.79 -37.99 79.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -52.33 -33.71 43.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.72 -37.48 79.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -121.21 89.88 3.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.667 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.0 mt -149.02 177.67 9.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -77.29 -175.91 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.99 -51.09 68.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -72.55 -46.88 52.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.667 ' CB ' HD22 ' A' ' 110' ' ' LEU . 13.4 mmtt -55.77 -37.81 69.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.941 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -68.11 -48.38 65.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.66 -48.37 72.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -71.57 -38.34 70.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.78 -46.77 74.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -55.42 -43.63 75.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 64.1 t -67.14 -35.3 73.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.2 -51.04 63.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -63.38 -42.74 98.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 21.7 ttp85 -58.99 -53.61 56.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -56.99 -49.26 76.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.676 HG22 ' CD1' ' A' ' 129' ' ' ILE . 12.2 m -56.63 -46.22 81.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.11 -33.67 74.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.45 HG22 HD11 ' A' ' 131' ' ' ILE . 4.8 m -67.62 -56.41 9.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.693 HD11 HD13 ' A' ' 96' ' ' LEU . 1.1 pp -60.31 -33.68 72.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.966 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.676 ' CD1' HG22 ' A' ' 125' ' ' THR . 65.2 mt -69.77 -44.2 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -63.64 -41.03 98.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.45 HD11 HG22 ' A' ' 127' ' ' THR . 9.1 mt -66.16 -52.92 42.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.548 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.6 m-85 -62.53 -49.5 75.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -58.63 -40.58 83.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -62.3 -53.21 58.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.92 -49.55 77.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 132' ' ' PHE . 96.9 t -61.26 -35.35 65.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.08 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -69.07 -40.19 78.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -69.91 -35.56 74.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.8 tp . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.918 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.737 ' O ' HD12 ' A' ' 153' ' ' LEU . 8.7 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.872 0.368 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ASN . . . . . 0.45 ' O ' HG23 ' A' ' 154' ' ' THR . 2.8 p-10 -51.38 -43.33 61.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -62.59 -35.3 79.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.38 -53.13 25.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.737 HD12 ' O ' ' A' ' 149' ' ' SER . 1.3 mp -57.13 -50.65 72.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 150' ' ' ASN . 60.8 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.843 0.354 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -43.9 79.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -26.63 9.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -69.68 -69.75 0.33 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 92.2 m -48.8 -45.9 40.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.435 HG21 HD21 ' A' ' 48' ' ' LEU . 1.7 mp -60.73 -51.18 76.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -61.43 -27.77 68.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.97 -55.37 8.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.459 HD12 ' HB3' ' A' ' 102' ' ' TYR . 21.0 pt -60.89 -36.17 69.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.115 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.711 HD23 ' HA ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -67.83 -52.53 35.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -57.88 -52.14 66.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -44.55 92.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.522 HD22 HD23 ' A' ' 103' ' ' LEU . 12.1 tp -56.86 -52.62 64.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.41 -57.08 13.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.604 ' O ' HG23 ' A' ' 182' ' ' VAL . 7.6 mt-10 -53.46 -50.06 66.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.5 -30.84 69.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.779 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.541 ' HB3' HD21 ' A' ' 38' ' ' LEU . 1.5 mt -68.09 -60.54 2.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.9 ptpm? -53.79 -42.64 68.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 178' ' ' GLU . 96.3 t -63.09 -48.91 85.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 97.1 m -60.46 -32.32 71.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.547 HD23 HG13 ' A' ' 34' ' ' ILE . 2.7 tm? -70.44 -55.98 7.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -19.81 65.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.801 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 5.6 m -79.83 -48.55 13.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.5 t -69.56 -24.9 63.77 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.215 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 179.952 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.849 0.356 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 63.77 41.97 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.583 ' O ' HG23 ' A' ' 30' ' ' VAL . 2.1 t -109.76 156.97 19.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -52.42 -49.96 63.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.75 -51.64 54.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 -179.877 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.571 ' H ' HG23 ' A' ' 26' ' ' THR . 0.9 OUTLIER -61.01 -41.4 96.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.963 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 26' ' ' THR . 96.3 t -61.41 -54.39 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.691 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.07 -52.08 51.52 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.492 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.59 -43.15 94.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.551 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.8 OUTLIER -63.31 -49.3 74.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.737 0.303 . . . . 0.0 110.834 -179.889 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.585 ' O ' HD23 ' A' ' 38' ' ' LEU . 22.1 mm -54.12 -44.45 63.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.167 179.873 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 31' ' ' GLY . 29.1 p -64.93 -44.2 90.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.172 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -59.0 -55.19 38.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.698 HG22 ' CD1' ' A' ' 41' ' ' ILE . 11.4 p -60.06 -35.34 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.1 mm? -60.71 -48.53 81.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.6 t90 -65.42 -42.82 92.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -60.88 -47.73 85.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.698 ' CD1' HG22 ' A' ' 37' ' ' VAL . 48.1 mt -60.14 -49.66 83.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 38' ' ' LEU . 83.0 t -54.62 -58.72 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.059 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -54.98 -45.87 75.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.8 ttp -60.55 -31.72 70.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -71.92 -51.21 23.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -67.89 -28.79 67.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -54.97 -40.07 69.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.79 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.1 mt -54.52 -28.49 45.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 71.0 m -97.83 32.86 2.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t30 62.75 26.81 15.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.81 37.22 61.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.443 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -98.5 103.89 15.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.0 p -55.61 -34.77 65.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -28.39 67.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.1 t -63.04 -29.21 70.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.8 mtp -69.09 -46.03 68.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -100.35 26.26 6.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -76.47 -54.42 6.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.529 ' CG ' HD21 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -135.02 26.21 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.814 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.484 ' HA ' ' HB3' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -75.53 -26.51 58.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.81 -32.16 30.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.529 HD21 ' CG ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -104.74 -33.56 8.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.927 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' A' ' 60' ' ' ASP . . . -53.92 -42.82 69.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.054 179.866 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -55.28 -26.46 40.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -108.53 26.29 10.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -131.54 25.42 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.39 129.44 55.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.85 22.06 16.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 mt -83.98 154.73 64.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.633 0.73 . . . . 0.0 110.931 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.75 2.3 . . . . 0.0 112.333 179.812 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.3 pttm . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.778 0.323 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.2 mt 70.81 -69.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.05 -50.02 59.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.5 m -54.51 -52.23 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.59 -45.04 97.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.598 HD13 HG12 ' A' ' 129' ' ' ILE . 18.4 mt -56.74 -45.49 81.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.848 0.356 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.1 -49.17 75.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -56.56 -56.54 20.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.757 ' HB3' HD13 ' A' ' 176' ' ' LEU . 23.5 m-85 -54.2 -47.19 72.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.811 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -54.2 -48.55 70.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -37.5 86.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.775 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.526 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.9 m-85 -62.62 -64.52 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.403 HD23 HD22 ' A' ' 176' ' ' LEU . 1.5 pp -54.8 -36.97 65.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -66.8 -36.91 83.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.761 ' CE1' HG22 ' A' ' 154' ' ' THR . 13.1 t80 -68.28 -52.05 38.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.99 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.5 ptm -67.81 -30.83 70.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.86 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.611 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -53.94 -38.4 64.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.905 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.93 -37.42 79.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.97 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -115.84 89.25 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 107' ' ' LYS . 11.6 mt -149.14 177.92 9.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.37 -175.94 5.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.22 -51.19 68.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.91 -47.69 61.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.566 ' HB3' HD13 ' A' ' 110' ' ' LEU . 9.0 mttt -55.73 -36.48 67.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -53.0 26.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.896 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -52.02 -46.71 65.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -72.38 -36.89 68.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.07 -47.13 75.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.026 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -55.79 -41.04 73.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 84.5 t -70.85 -32.77 49.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.446 HD11 HG13 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -68.86 -52.12 33.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -34.42 78.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.993 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 34.1 mtp85 -66.04 -52.24 50.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -60.1 -45.05 94.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.7 HG22 ' CD1' ' A' ' 129' ' ' ILE . 24.7 m -57.81 -51.11 70.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.62 -39.27 80.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.0 m -63.86 -56.1 17.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.531 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -60.66 -31.01 70.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.953 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.7 ' CD1' HG22 ' A' ' 125' ' ' THR . 51.6 mt -70.44 -40.32 77.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.839 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.6 -38.18 73.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 39.1 mt -67.55 -51.03 55.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.17 -47.84 78.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -60.17 -41.79 93.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -63.46 -47.82 80.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.13 -52.11 66.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.8 m -66.69 -28.34 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.2 -40.3 78.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -75.58 -42.49 51.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 120.895 0.379 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 150' ' ' ASN . . . . . 0.435 ' O ' HG23 ' A' ' 154' ' ' THR . 2.6 t30 -51.05 -46.49 61.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -57.37 -53.28 59.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.9 mp -51.99 -54.89 24.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.59 -63.68 1.06 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.761 HG22 ' CE1' ' A' ' 105' ' ' TYR . 52.5 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.847 0.356 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -59.08 -27.55 65.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.69 -26.61 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -69.4 -68.97 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.8 m -48.6 -45.15 37.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.9 mm -62.83 -45.3 99.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -63.61 -30.84 71.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.07 -55.29 8.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.526 HD12 ' HB3' ' A' ' 102' ' ' TYR . 13.4 pt -59.02 -39.55 78.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.113 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.75 -46.61 71.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 174' ' ' LYS . . . . . 0.483 ' HZ3' ' HB1' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -57.09 -52.06 66.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.778 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.3 t -61.4 -43.7 98.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.757 HD13 ' HB3' ' A' ' 99' ' ' TYR . 18.5 tp -53.98 -55.53 26.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 177' ' ' GLU . . . . . 0.517 ' HG2' HD13 ' A' ' 38' ' ' LEU . 2.2 tm-20 -58.06 -54.11 50.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.64 ' O ' HG23 ' A' ' 182' ' ' VAL . 10.1 mt-10 -52.86 -41.79 64.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -62.31 -48.61 79.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 72.1 mt -56.32 -45.42 80.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 181' ' ' LYS . . . . . 0.56 ' HG2' HD11 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -61.19 -51.1 70.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 179.803 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 178' ' ' GLU . 58.6 t -58.58 -44.81 90.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 36.2 m -60.66 -43.35 97.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.422 HD23 HG13 ' A' ' 34' ' ' ILE . 1.1 tm? -61.64 -54.38 43.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 179.892 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -64.6 -25.97 68.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 11.0 t -71.93 -48.74 43.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 184' ' ' LEU . 8.9 t -68.04 -24.87 65.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.976 179.907 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.839 0.352 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 63.55 28.77 15.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 30' ' ' VAL . 1.3 p -98.58 170.96 8.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -51.75 -43.84 63.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.099 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -51.47 66.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -39.64 91.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 26' ' ' THR . 96.9 t -63.73 -54.11 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.674 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.2 -51.81 53.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.448 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.39 -37.43 94.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.569 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.546 HD13 HG21 ' A' ' 127' ' ' THR . 0.7 OUTLIER -65.48 -47.37 76.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 110.903 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.5 mt -62.14 -41.07 89.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 179.856 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 31' ' ' GLY . 59.5 p -64.61 -44.47 90.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.05 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -62.04 -55.17 31.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.632 HG22 HD11 ' A' ' 41' ' ' ILE . 13.6 p -59.73 -34.36 55.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.592 ' O ' HG23 ' A' ' 42' ' ' VAL . 13.2 mt -64.26 -48.13 76.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -63.92 -40.79 97.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -62.67 -45.81 91.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.982 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.632 HD11 HG22 ' A' ' 37' ' ' VAL . 26.8 mt -61.8 -46.95 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.08 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 38' ' ' LEU . 91.3 t -59.14 -46.4 92.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.15 -43.4 82.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.628 ' SD ' HD21 ' A' ' 173' ' ' LEU . 0.0 OUTLIER -65.44 -32.22 73.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.578 ' HA ' HD23 ' A' ' 173' ' ' LEU . 6.9 ttp180 -72.86 -51.18 19.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.773 -179.751 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -69.22 -28.73 66.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.996 179.936 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -59.62 -34.66 73.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.7 mt -54.06 -32.2 53.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.4 36.2 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 58.59 26.26 14.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.59 41.53 93.99 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -91.0 107.64 19.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.1 p -56.3 -26.68 53.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.946 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.14 -26.33 61.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.842 179.898 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -66.52 -26.77 67.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.6 mtp -64.76 -41.22 96.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -111.19 27.08 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -79.35 -64.74 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.815 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.0 23.38 13.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.57 26.98 4.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.54 -31.49 12.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.1 -26.59 7.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.486 ' HB1' ' CE1' ' A' ' 171' ' ' PHE . . . -60.6 -33.1 72.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.1 179.785 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -52.16 -30.53 27.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -116.28 30.15 7.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -143.26 30.13 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.792 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.56 HD22 HD12 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -101.23 -50.7 3.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 56.47 24.78 8.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.845 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.56 HD12 HD22 ' A' ' 67' ' ' LEU . 20.4 mt -81.72 159.25 66.81 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.633 0.73 . . . . 0.0 110.967 179.905 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.14 0 C-N-CA 122.685 2.257 . . . . 0.0 112.286 179.901 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.756 0.312 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.1 mt 70.91 -69.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 t -51.52 -50.2 60.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.9 t -56.19 -52.33 64.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.46 -45.91 94.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.581 HD13 HG12 ' A' ' 129' ' ' ILE . 20.8 mt -55.47 -50.33 70.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 -179.836 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -49.01 79.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.866 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -51.69 64.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -57.95 -46.44 85.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.91 -179.81 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -54.63 -47.38 73.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 p -64.34 -39.08 93.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.563 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.9 m-85 -60.59 -64.04 1.09 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.873 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 pp -54.86 -40.76 70.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.23 -34.05 77.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.575 ' CE1' HG22 ' A' ' 154' ' ' THR . 15.3 t80 -70.39 -52.06 25.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.986 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 8.4 ptm -68.76 -26.0 65.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.916 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -65.1 -30.37 71.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -59.94 -40.65 89.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -120.55 93.64 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.685 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.1 mt -147.63 178.03 8.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -78.64 -176.04 4.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -63.15 -51.17 67.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -71.22 -47.58 56.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.685 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.6 mmtm -55.72 -37.86 68.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -69.98 -49.5 50.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.815 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.45 -48.06 66.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.913 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -72.28 -37.47 69.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.86 -45.13 74.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.846 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -55.67 -49.7 72.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.1 t -60.81 -40.29 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.139 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.549 HD11 HG13 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -61.49 -49.57 76.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.0 tm0? -58.8 -51.31 70.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -53.8 -53.33 53.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -54.2 -45.97 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.685 HG22 ' CD1' ' A' ' 129' ' ' ILE . 10.5 m -56.52 -51.08 69.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -63.07 -28.46 70.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.546 HG21 HD13 ' A' ' 33' ' ' LEU . 96.8 m -69.61 -56.5 7.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.109 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 pp -62.72 -34.93 78.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.685 ' CD1' HG22 ' A' ' 125' ' ' THR . 80.0 mt -69.99 -42.15 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -65.42 -42.23 92.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 43.1 mt -65.98 -50.62 68.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -63.61 -49.62 72.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -59.41 -39.41 83.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -64.23 -49.43 71.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -57.89 -52.14 66.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.3 m -65.13 -30.45 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -43.44 83.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.87 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -76.98 -30.12 55.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.229 0.013 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -51.05 -40.55 58.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.23 77.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 14.9 mt -56.97 -50.24 73.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.35 -62.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.575 HG22 ' CE1' ' A' ' 105' ' ' TYR . 42.6 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.036 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 10.8 tp . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -54.43 -28.42 43.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.75 -26.37 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -69.75 -68.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.6 m -48.58 -45.69 38.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.8 mm -61.77 -50.15 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.235 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -62.25 -27.97 69.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 0.486 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -71.01 -55.34 8.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.943 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.563 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.9 pt -60.54 -37.08 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.628 HD21 ' SD ' ' A' ' 44' ' ' MET . 1.0 OUTLIER -67.4 -51.34 53.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.94 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -56.21 -50.65 70.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 23.0 p -59.91 -46.6 88.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.8 tp -53.38 -55.04 28.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.21 -55.06 37.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 182' ' ' VAL . 13.1 mm-40 -53.08 -41.85 65.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -60.02 -51.65 68.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.454 ' HB3' HD21 ' A' ' 38' ' ' LEU . 1.3 mp -55.43 -49.84 71.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 181' ' ' LYS . . . . . 0.481 ' HE2' HD22 ' A' ' 38' ' ' LEU . 11.5 mttt -55.3 -50.41 69.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 178' ' ' GLU . 82.3 t -60.94 -49.36 85.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.053 179.923 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 95.6 m -51.45 -47.58 63.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 -179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.552 ' HA ' HG22 ' A' ' 187' ' ' THR . 9.4 tp -68.51 -35.64 77.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.988 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -65.96 -29.73 70.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 47.6 t -82.48 -52.13 7.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.779 -179.744 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.552 HG22 ' HA ' ' A' ' 184' ' ' LEU . 10.8 t -61.4 -18.24 57.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 -179.849 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.954 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.8 t . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.915 0.388 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 63.68 54.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.538 HG23 ' H ' ' A' ' 29' ' ' GLN . 2.7 t -114.77 159.77 20.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.0 p -51.21 -43.73 61.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.18 -51.75 66.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.813 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.538 ' H ' HG23 ' A' ' 26' ' ' THR . 1.1 tm0? -60.32 -42.63 96.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.3 t -62.21 -54.26 36.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.731 ' O ' HG23 ' A' ' 35' ' ' THR . . . -53.82 -52.39 42.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.46 -38.68 96.17 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.507 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.708 HD11 ' HB ' ' A' ' 127' ' ' THR . 10.5 tt -64.89 -42.81 94.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.767 0.317 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.513 HD13 ' HB2' ' A' ' 184' ' ' LEU . 96.8 mt -64.4 -41.59 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.02 0.438 . . . . 0.0 111.165 179.834 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 31' ' ' GLY . 34.3 p -63.86 -46.87 83.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.049 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -62.29 -55.21 30.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.597 HG22 HD11 ' A' ' 41' ' ' ILE . 7.5 p -59.31 -32.77 49.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.667 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.9 mt -65.64 -48.44 72.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.1 t90 -63.36 -42.45 98.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.76 -49.14 77.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.597 HD11 HG22 ' A' ' 37' ' ' VAL . 37.2 mt -58.46 -46.36 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 38' ' ' LEU . 93.7 t -58.62 -46.9 90.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 179.898 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -42.0 90.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.9 ttt -66.99 -32.04 73.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -51.03 22.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.4 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -70.25 -28.93 65.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.93 -35.58 61.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.467 HD12 ' HE3' ' A' ' 114' ' ' LYS . 9.5 mp -57.02 -27.08 61.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.61 27.79 8.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.1 t30 63.21 37.95 10.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.11 42.29 54.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -99.0 112.29 24.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.68 -27.32 39.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.01 -26.39 67.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.826 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.78 -28.13 36.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.4 mmm -72.74 -29.2 63.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -118.24 28.42 8.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -89.93 -63.87 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -111.52 24.19 13.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.894 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.94 -25.83 43.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.06 -24.75 47.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 pp -102.48 -26.01 13.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 59' ' ' ASP . . . -51.68 -30.78 23.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.155 179.828 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -27.29 37.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -112.75 25.59 11.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -147.18 24.68 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.83 -62.19 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.68 19.21 7.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.41 161.02 55.58 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.648 0.737 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.834 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.813 0.339 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.7 mt 70.97 -69.16 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.32 -50.21 59.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 -179.906 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -56.33 -52.65 63.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.86 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.3 -50.93 62.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.0 mp -51.86 -46.98 64.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.343 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -49.15 78.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.003 179.805 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -53.33 59.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.422 ' CB ' HD13 ' A' ' 176' ' ' LEU . 26.4 m-85 -54.25 -50.17 67.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.832 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.471 ' HA ' HD21 ' A' ' 103' ' ' LEU . 8.6 t-80 -54.29 -45.07 72.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.898 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 p -62.2 -39.73 93.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.737 ' HB3' HD12 ' A' ' 172' ' ' ILE . 22.7 m-85 -63.46 -63.85 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.8 pp -51.77 -38.53 55.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.568 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.3 mm-40 -67.63 -37.27 82.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -66.39 -44.47 82.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 -179.903 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.5 ttp -74.92 -30.96 61.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -60.64 -25.94 66.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -35.33 76.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -130.03 98.53 4.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.601 HD13 ' HB3' ' A' ' 114' ' ' LYS . 6.8 mt -148.9 173.78 12.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -68.03 -176.18 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -62.23 -51.16 68.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -75.96 -43.93 42.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.601 ' HB3' HD13 ' A' ' 110' ' ' LEU . 20.9 mmtm -55.86 -36.85 68.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -53.08 23.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -52.03 -45.95 64.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -72.52 -39.13 67.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.9 -44.0 73.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.069 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 25.9 ttt85 -55.84 -49.36 73.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 73.3 t -61.68 -43.19 96.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.64 -47.23 86.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.491 ' HA ' HD13 ' A' ' 103' ' ' LEU . 1.0 OUTLIER -60.72 -50.84 71.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.904 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -53.09 57.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -54.26 44.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.7 m -54.42 -48.66 71.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.133 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -54.58 -45.88 73.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.708 ' HB ' HD11 ' A' ' 33' ' ' LEU . 57.4 m -61.25 -56.07 24.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' ' 129' ' ' ILE . 0.1 OUTLIER -52.75 -51.74 59.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.884 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.623 ' N ' HD23 ' A' ' 128' ' ' LEU . 56.5 mt -61.15 -33.77 57.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -48.07 75.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 44.3 mt -65.66 -46.7 88.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -63.72 -50.01 70.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -59.29 -40.11 85.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -63.56 -48.93 75.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -58.23 -52.14 66.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.5 p -65.38 -30.9 51.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -65.96 -43.81 86.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -79.33 -26.77 42.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.803 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 15.0 tp . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 -179.997 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.734 ' O ' HD12 ' A' ' 153' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.458 -0.039 0 CA-C-O 120.946 0.403 . . . . 0.0 110.863 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -49.97 -44.59 50.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.33 -36.01 76.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.045 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 34.4 mt -67.76 -54.72 17.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 149' ' ' SER . 1.6 mp -54.56 -53.76 50.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.95 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 47.2 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.939 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.815 0.34 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -24.85 46.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -48.79 -26.53 2.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -69.54 -68.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.3 m -48.39 -36.98 15.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.214 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 34.2 mm -67.42 -53.05 35.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.28 -25.04 67.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -72.76 -55.19 7.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.737 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.3 pt -63.46 -36.08 74.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.61 -52.39 38.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.812 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -57.06 -46.68 82.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 179.838 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.9 t -60.48 -47.52 85.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.422 HD13 ' CB ' ' A' ' 99' ' ' TYR . 8.5 tp -54.93 -56.33 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 177' ' ' GLU . . . . . 0.511 ' OE2' HD22 ' A' ' 38' ' ' LEU . 4.6 tm-20 -53.39 -50.93 64.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.56 ' O ' HG22 ' A' ' 182' ' ' VAL . 0.1 OUTLIER -59.97 -33.94 72.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.956 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -73.12 -29.25 62.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 8.7 mt -74.48 -50.39 18.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 181' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -60.38 -45.19 94.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.847 179.863 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 178' ' ' GLU . 33.4 m -66.87 -39.3 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.412 ' N ' HG23 ' A' ' 182' ' ' VAL . 6.2 m -63.62 -43.7 96.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.513 ' HB2' HD13 ' A' ' 34' ' ' ILE . 3.1 tm? -71.43 -36.2 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 18.1 ttt85 -68.9 -40.66 79.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.04 -52.14 21.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.797 -179.74 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.429 HG22 ' HA ' ' A' ' 184' ' ' LEU . 14.1 t -58.46 -23.27 57.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.073 -179.916 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 -179.975 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.64 HG22 HG23 ' A' ' 26' ' ' THR . 7.1 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.837 0.351 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 63.46 46.1 4.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.683 ' O ' HG23 ' A' ' 30' ' ' VAL . 68.2 p -119.82 166.22 13.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.253 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.2 p -51.66 -41.26 61.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.17 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -61.38 -51.67 67.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -38.8 90.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 26' ' ' THR . 95.3 t -62.16 -54.18 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.712 ' O ' HG23 ' A' ' 35' ' ' THR . . . -58.27 -51.94 55.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.43 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.02 -40.91 94.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.47 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.528 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.9 OUTLIER -64.33 -48.19 76.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.727 0.299 . . . . 0.0 110.91 -179.896 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.507 HG21 ' HG ' ' A' ' 184' ' ' LEU . 24.3 mm -57.19 -42.49 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 179.844 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 31' ' ' GLY . 30.0 p -64.82 -45.57 85.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -62.0 -55.23 31.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.885 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.595 HG22 HD11 ' A' ' 41' ' ' ILE . 10.5 p -59.49 -34.05 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.578 HD21 ' HB3' ' A' ' 180' ' ' LEU . 11.0 mt -64.17 -48.53 75.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.2 t90 -63.46 -41.32 98.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.79 -45.86 92.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.595 HD11 HG22 ' A' ' 37' ' ' VAL . 25.2 mt -61.53 -46.33 96.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 38' ' ' LEU . 99.0 t -59.57 -44.66 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.08 -41.91 76.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.7 ttt -66.82 -31.82 72.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -74.65 -50.24 18.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -69.69 -28.87 66.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.897 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -54.04 -35.62 62.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.2 mt -56.1 -30.43 62.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.7 m -96.52 28.8 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 61.02 30.7 19.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.73 44.0 98.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.616 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -100.74 108.92 20.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.8 t -54.98 -27.73 46.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -35.58 81.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.35 -36.27 81.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.8 mtp -57.89 -45.24 86.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -103.14 25.89 8.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -86.01 -66.08 0.94 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.07 26.5 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -97.85 28.74 3.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.18 -25.37 14.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.01 -40.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.2 -40.04 70.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.852 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -64.56 -31.68 73.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -108.19 35.31 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.975 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -152.38 26.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.4 132.4 33.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.5 -14.0 18.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.855 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.556 HD23 ' HE1' ' A' ' 99' ' ' TYR . 8.6 mp -63.82 160.54 44.87 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.649 0.738 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.214 0 C-N-CA 122.634 2.223 . . . . 0.0 112.357 179.921 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.2 mttt . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.724 0.297 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mt 71.0 -69.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.87 -50.09 57.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.5 t -54.31 -52.32 61.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -179.776 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.8 -44.76 96.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.599 HD22 ' CG1' ' A' ' 129' ' ' ILE . 20.5 mt -56.56 -49.05 75.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.367 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -48.97 79.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.896 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.78 -50.71 69.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.556 ' HE1' HD23 ' A' ' 69' ' ' LEU . 20.4 m-85 -58.98 -47.32 85.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.782 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -54.34 -47.19 72.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.8 m -64.34 -39.53 94.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.819 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.544 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.6 m-85 -60.23 -64.46 0.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.898 -179.826 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.407 HD12 ' HG2' ' A' ' 104' ' ' GLU . 1.4 pp -54.86 -42.6 72.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.407 ' HG2' HD12 ' A' ' 103' ' ' LEU . 4.3 mm-40 -62.13 -34.41 76.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.968 179.87 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.716 ' CE1' HG22 ' A' ' 154' ' ' THR . 15.6 t80 -69.83 -51.98 28.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 -179.867 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.5 ptt? -67.28 -26.91 66.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.562 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -61.24 -32.92 72.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.903 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -59.99 -42.32 93.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -112.34 88.79 2.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.983 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.624 HD22 ' CB ' ' A' ' 114' ' ' LYS . 9.6 mt -149.04 177.65 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -175.92 5.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.99 179.816 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.14 -51.19 68.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.863 179.825 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -68.49 -49.55 58.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.624 ' CB ' HD22 ' A' ' 110' ' ' LEU . 19.1 mmtm -55.6 -40.89 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -67.0 -49.8 64.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -49.8 62.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -71.67 -35.68 70.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.83 -48.08 73.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.072 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -55.53 -43.26 75.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.62 -35.6 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.07 -51.05 59.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -62.17 -40.42 95.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -62.49 -53.21 58.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.5 -47.02 76.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.638 HG22 ' CD1' ' A' ' 129' ' ' ILE . 7.0 m -58.87 -47.8 83.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.104 -179.905 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -60.81 -33.17 72.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.813 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.576 HG22 HD11 ' A' ' 131' ' ' ILE . 4.2 m -68.68 -56.28 8.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.528 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -59.96 -32.76 71.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.638 ' CD1' HG22 ' A' ' 125' ' ' THR . 66.6 mt -70.86 -45.45 73.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.067 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -64.29 -36.87 85.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.795 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.576 HD11 HG22 ' A' ' 127' ' ' THR . 13.1 mt -69.25 -52.47 32.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.409 ' O ' HG13 ' A' ' 136' ' ' VAL . 3.4 m-85 -64.23 -44.25 92.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.784 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -63.4 -43.27 98.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 -179.881 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -63.86 -43.03 97.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -52.04 65.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 132' ' ' PHE . 18.3 m -66.53 -30.35 49.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -68.57 -42.46 78.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -77.71 -29.94 51.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.84 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 28.8 tp . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 -179.961 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.886 0.375 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -51.32 -47.18 62.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.29 -54.03 50.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.2 mp -51.72 -53.41 39.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.96 -64.2 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.9 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.716 HG22 ' CE1' ' A' ' 105' ' ' TYR . 70.1 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.805 0.336 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -64.77 -42.26 95.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.91 -26.46 5.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.055 -179.842 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -69.08 0.36 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.6 m -48.52 -45.16 36.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.196 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.4 ' O ' HD23 ' A' ' 173' ' ' LEU . 39.4 mm -62.72 -46.05 97.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.246 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.77 -31.95 73.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -55.11 10.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.544 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.5 pt -60.3 -35.98 65.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.177 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 169' ' ' ILE . 2.9 mm? -67.41 -54.93 16.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.873 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -54.75 -47.62 73.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.3 t -61.83 -45.09 95.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.783 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.553 HD13 ' HB3' ' A' ' 99' ' ' TYR . 12.3 tp -54.86 -57.92 9.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -55.4 -53.02 61.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.562 ' O ' HG23 ' A' ' 182' ' ' VAL . 8.5 mt-10 -52.79 -49.32 65.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -60.83 -35.13 75.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.81 -179.835 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.578 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -63.67 -61.12 2.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -54.06 -45.62 71.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.818 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 178' ' ' GLU . 85.3 t -61.1 -52.84 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.123 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 87.3 m -55.22 -36.15 65.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.178 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.507 ' HG ' HG21 ' A' ' 34' ' ' ILE . 2.2 tm? -67.2 -55.99 11.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.54 -22.83 67.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 6.7 m -77.11 -48.03 18.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.7 t -71.21 -24.7 62.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.196 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 40.6 mtp85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 180.0 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.414 HG12 HG23 ' A' ' 26' ' ' THR . 22.6 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.864 0.364 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 63.53 27.4 15.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.414 HG23 HG12 ' A' ' 24' ' ' VAL . 1.2 p -99.08 172.81 7.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.3 p -51.65 -43.27 62.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.42 -51.55 67.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.776 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -61.1 -39.28 89.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 26' ' ' THR . 90.9 t -64.69 -53.46 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.256 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.87 -52.15 50.61 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.43 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.29 -37.84 95.5 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.627 HD11 ' HB ' ' A' ' 127' ' ' THR . 9.4 tt -68.09 -35.78 78.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.828 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.48 ' CD1' HD22 ' A' ' 184' ' ' LEU . 63.8 mt -68.92 -48.66 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.1 t -63.97 -38.82 92.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -65.73 -55.25 18.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.539 HG22 HD11 ' A' ' 41' ' ' ILE . 7.0 p -60.86 -32.99 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.607 ' O ' HG23 ' A' ' 42' ' ' VAL . 12.6 mt -66.12 -48.6 70.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -62.83 -42.69 99.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.56 -47.78 83.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.539 HD11 HG22 ' A' ' 37' ' ' VAL . 36.8 mt -58.82 -48.33 86.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 38' ' ' LEU . 84.7 t -56.55 -52.81 48.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.093 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -56.69 -46.73 81.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -31.92 73.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -67.53 -51.31 52.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.2 pttt -72.22 -28.64 63.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -53.95 -34.24 59.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.545 HD12 ' HE3' ' A' ' 114' ' ' LYS . 7.3 mp -60.93 -28.22 68.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.6 m -96.51 27.2 3.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.877 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 61.97 28.09 17.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.38 45.06 96.71 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.519 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -100.31 112.12 24.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.84 0.353 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 p -54.84 -28.7 51.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 -179.896 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -63.26 -40.02 96.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -36.72 79.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.9 mtp -59.11 -30.77 68.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -120.05 26.01 9.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -86.55 -61.98 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.71 23.5 13.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -99.39 32.5 2.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.14 -26.42 7.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.065 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.32 -40.77 4.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.62 -32.1 64.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.131 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.11 -27.28 66.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -121.05 27.55 8.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -145.29 26.12 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.47 156.19 21.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.52 -24.58 8.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.777 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.11 160.52 47.57 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.634 0.731 . . . . 0.0 110.951 179.832 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.618 2.212 . . . . 0.0 112.4 179.901 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.4 mttt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.71 0.29 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.582 HG23 ' CZ ' ' A' ' 179' ' ' PHE . 79.0 mt -110.4 -22.38 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.888 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 83.3 p -63.37 -50.07 71.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.0 m -56.65 -52.0 66.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.52 -51.81 56.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.522 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.593 HD22 HG12 ' A' ' 129' ' ' ILE . 57.1 mt -59.31 -47.39 85.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.551 HD23 ' N ' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -59.76 -49.0 79.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.859 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.551 ' N ' HD23 ' A' ' 97' ' ' LEU . 12.5 mt-10 -55.06 -50.35 69.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -57.41 -48.29 79.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -54.1 -46.87 72.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.6 p -63.41 -40.16 96.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.824 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -60.88 -64.46 0.95 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 122' ' ' GLN . 2.0 pp -53.66 -40.04 65.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.426 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.7 OUTLIER -62.69 -38.63 91.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.951 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.453 ' CE1' HG22 ' A' ' 154' ' ' THR . 40.8 t80 -68.77 -42.46 77.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.429 ' HG2' HD11 ' A' ' 110' ' ' LEU . 2.8 ttt -70.8 -37.89 73.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -25.9 66.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.976 179.871 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -60.88 -39.01 87.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -131.8 99.45 4.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 114' ' ' LYS . 7.8 mt -148.29 171.21 16.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -68.82 -176.0 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.59 -51.03 68.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -74.29 -45.2 49.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.603 ' HB3' HD22 ' A' ' 110' ' ' LEU . 21.3 mmtm -56.0 -38.18 70.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -67.75 -51.1 53.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.851 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -53.33 -48.25 68.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -70.54 -39.36 74.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.9 -44.51 74.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.074 179.816 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -55.67 -49.45 72.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 77.3 t -61.36 -43.16 96.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.58 -49.88 73.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.481 ' HA ' HD13 ' A' ' 103' ' ' LEU . 11.9 tm0? -60.87 -50.04 75.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.895 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.95 -53.12 57.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.895 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.17 -55.0 36.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.42 HG22 ' CD1' ' A' ' 129' ' ' ILE . 5.5 m -53.32 -50.55 64.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.067 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.69 -41.83 70.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.627 ' HB ' HD11 ' A' ' 33' ' ' LEU . 31.1 m -61.94 -53.75 51.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.133 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.634 HD23 ' N ' ' A' ' 129' ' ' ILE . 0.3 OUTLIER -58.4 -52.24 66.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 179.955 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.634 ' N ' HD23 ' A' ' 128' ' ' LEU . 86.2 mt -54.5 -41.88 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.84 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -63.1 -46.94 84.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 41.4 mt -62.07 -53.08 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.532 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.4 m-85 -60.99 -41.52 96.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.899 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -59.84 -46.62 88.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -62.42 -49.98 73.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.63 -51.99 67.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.995 -179.884 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 132' ' ' PHE . 94.6 t -63.03 -31.48 52.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -41.56 77.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.28 -39.12 71.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 179.972 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.623 ' O ' HD12 ' A' ' 153' ' ' LEU . 4.8 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.949 0.404 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -51.75 -44.67 63.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.99 -40.88 95.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.09 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 28.0 mt -62.68 -56.11 20.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 149' ' ' SER . 1.0 OUTLIER -54.47 -56.61 17.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.918 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.453 HG22 ' CE1' ' A' ' 105' ' ' TYR . 80.8 p . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.785 0.326 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.07 -26.12 59.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.82 -26.44 5.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -69.63 -69.02 0.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.847 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.1 m -48.37 -45.58 35.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.9 mm -62.36 -47.58 92.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.204 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -60.84 -30.73 70.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.811 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -71.56 -55.31 8.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 16.2 pt -60.46 -37.79 75.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.177 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.405 ' CD1' HG23 ' A' ' 41' ' ' ILE . 3.6 mm? -67.44 -58.58 4.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.825 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -56.98 -41.66 78.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.784 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 72.4 m -62.19 -46.99 86.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.489 HD12 HD13 ' A' ' 180' ' ' LEU . 15.2 tp -58.35 -58.15 9.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.37 -46.99 66.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -59.59 -41.19 89.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 -179.917 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.582 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 60.3 t80 -66.87 -31.56 72.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.873 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.489 HD13 HD12 ' A' ' 176' ' ' LEU . 5.2 mp -70.78 -52.16 22.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -59.13 -46.07 89.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.39 -35.29 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.3 m -63.12 -46.61 86.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.559 ' HA ' HG22 ' A' ' 187' ' ' THR . 9.3 tp -72.09 -36.06 69.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -67.54 -31.36 71.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.07 -49.68 9.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.559 HG22 ' HA ' ' A' ' 184' ' ' LEU . 7.0 t -62.75 -19.19 63.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.135 -179.88 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 49.1 mtm180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.948 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.84 0.353 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 60.65 38.7 18.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.9 p -112.71 167.64 10.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.72 -36.15 34.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.915 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.25 -43.34 74.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.743 -179.786 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -62.69 -50.93 69.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.982 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 31' ' ' GLY . 18.9 m -60.73 -43.23 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.905 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.702 ' O ' HG23 ' A' ' 35' ' ' THR . . . -59.2 -53.14 48.82 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.35 -39.31 97.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.39 -179.914 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 128' ' ' LEU . 9.9 tt -65.33 -45.23 85.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.338 . . . . 0.0 110.945 -179.895 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.527 HG21 ' HG ' ' A' ' 184' ' ' LEU . 12.8 mm -59.32 -41.8 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.772 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 31' ' ' GLY . 29.8 p -66.3 -44.92 82.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -57.89 -55.24 37.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.686 HG22 ' CD1' ' A' ' 41' ' ' ILE . 8.0 p -59.43 -38.38 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.05 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.932 HD22 HD23 ' A' ' 180' ' ' LEU . 0.6 OUTLIER -56.82 -49.07 76.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.978 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -65.65 -43.82 88.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.969 179.851 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.502 ' HB3' HD11 ' A' ' 121' ' ' LEU . 1.7 mm-40 -60.11 -43.51 95.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.686 ' CD1' HG22 ' A' ' 37' ' ' VAL . 57.1 mt -63.0 -46.89 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 38' ' ' LEU . 97.6 t -58.53 -41.85 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.853 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -72.84 -42.98 63.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 -179.907 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.4 ttt -65.37 -31.52 72.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -77.11 -51.19 11.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.21 -28.6 68.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -55.02 -40.82 70.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.1 mt -53.96 -29.38 42.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.9 m -96.04 31.69 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.785 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.4 t30 59.31 26.53 15.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.72 43.49 98.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.524 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -98.76 117.33 32.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -26.82 63.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.827 -179.87 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -35.99 82.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -26.49 67.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.3 mtp -65.85 -38.48 88.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.859 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -113.13 29.36 8.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -86.98 -50.83 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.99 23.17 14.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -99.52 32.0 2.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.99 -26.18 6.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.162 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.23 -38.77 2.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.65 -31.96 66.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -54.17 -28.36 39.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -126.6 40.76 3.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -153.18 27.0 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.58 135.65 33.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -72.6 -26.05 61.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 mt -80.1 154.99 75.08 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.713 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.158 0 C-N-CA 122.679 2.253 . . . . 0.0 112.388 179.835 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.8 mttp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.751 0.31 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 69.1 mt -113.47 -25.59 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.211 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.55 -50.13 66.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.9 t -57.19 -48.52 78.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.818 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.13 -52.09 54.86 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 16.7 mt -61.18 -54.51 43.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 0.0 110.937 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.6 -48.18 75.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.973 179.862 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -54.05 -55.14 30.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.77 ' HB3' HD13 ' A' ' 176' ' ' LEU . 15.4 m-85 -54.11 -45.67 71.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.846 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.405 ' HA ' HD21 ' A' ' 103' ' ' LEU . 40.2 t-80 -56.95 -43.26 81.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -38.68 89.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.822 -179.794 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.564 ' HE1' HD13 ' A' ' 153' ' ' LEU . 13.8 m-85 -62.1 -58.33 8.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.849 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.8 pp -59.33 -37.96 79.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.564 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.7 OUTLIER -60.24 -47.75 84.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.96 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.796 ' CE1' HG22 ' A' ' 154' ' ' THR . 2.7 t80 -64.66 -45.02 88.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.837 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 13.3 ttp -66.91 -26.13 66.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.405 ' HA ' HD12 ' A' ' 110' ' ' LEU . 9.0 tmtt? -69.47 -28.61 66.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.37 -29.22 70.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -132.45 94.51 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.681 HD22 ' HB3' ' A' ' 114' ' ' LYS . 6.5 mt -148.95 173.96 12.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.13 -179.04 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.858 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.39 -51.05 70.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 179.928 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -76.1 -43.64 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.681 ' HB3' HD22 ' A' ' 110' ' ' LEU . 21.7 mmtm -55.73 -36.3 67.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.798 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -71.35 -50.55 31.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.71 -47.67 67.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -71.49 -39.22 71.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.1 -43.79 74.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.045 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -55.35 -49.9 71.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.803 -179.853 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 71.3 t -61.9 -42.31 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.502 HD11 ' HB3' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -55.36 -48.8 73.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.922 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -65.13 -41.58 94.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.92 -55.47 26.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.03 -38.61 91.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.6 HG22 HD12 ' A' ' 129' ' ' ILE . 91.4 m -58.36 -45.37 88.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -179.928 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -68.57 -38.56 80.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.5 m -64.79 -56.24 14.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.528 ' HA ' HD12 ' A' ' 131' ' ' ILE . 3.1 pp -61.37 -39.4 90.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.823 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.6 HD12 HG22 ' A' ' 125' ' ' THR . 21.7 mt -64.6 -38.34 82.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.883 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -68.35 -42.25 79.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 128' ' ' LEU . 7.7 mt -63.03 -52.09 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.572 ' O ' HG23 ' A' ' 136' ' ' VAL . 2.5 m-85 -62.14 -43.93 97.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -58.45 -45.3 88.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -54.18 44.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -44.18 72.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 132' ' ' PHE . 94.8 t -69.02 -35.22 67.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -64.87 -37.89 89.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.0 -22.1 24.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.782 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 16.7 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.877 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.835 0.35 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -51.51 -51.1 58.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -51.51 -50.95 58.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.18 179.856 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.6 mp -55.61 -49.06 73.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.564 HD13 ' HE1' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -54.44 -63.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.989 179.895 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.796 HG22 ' CE1' ' A' ' 105' ' ' TYR . 54.2 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.181 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.786 0.327 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 18.6 ttt85 -81.7 -55.13 4.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.8 -26.72 10.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -69.43 -69.89 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.809 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 95.4 m -48.98 -44.96 41.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.093 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.82 -49.67 83.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.161 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -59.72 -31.53 69.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -55.24 10.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.543 HD12 ' HB3' ' A' ' 102' ' ' TYR . 20.0 pt -62.18 -35.86 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.38 -49.36 64.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -59.59 -52.09 67.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -38.78 88.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.77 HD13 ' HB3' ' A' ' 99' ' ' TYR . 12.1 tp -59.29 -57.98 10.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 177' ' ' GLU . . . . . 0.432 ' HG2' HD13 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -57.03 -52.47 65.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 182' ' ' VAL . 2.9 mt-10 -54.6 -50.43 68.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -61.9 -32.74 73.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.813 -179.913 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.932 HD23 HD22 ' A' ' 38' ' ' LEU . 6.3 tp -64.9 -59.79 3.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -55.72 -44.95 77.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 178' ' ' GLU . 80.1 t -59.52 -44.78 93.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 84.5 m -61.11 -46.89 88.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.527 ' HG ' HG21 ' A' ' 34' ' ' ILE . 1.1 tm? -58.45 -53.12 61.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -63.46 -33.95 76.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 29.1 t -64.21 -51.6 62.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 184' ' ' LEU . 10.3 t -66.86 -20.41 65.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 188' ' ' ARG . . . . . 0.508 ' HG3' HD13 ' A' ' 184' ' ' LEU . 1.5 mmp_? . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.4 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.789 0.328 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 63.52 29.36 15.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.535 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -102.35 161.07 13.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.144 179.934 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.5 p -51.61 -48.22 63.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.7 m -52.18 -51.44 58.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 -179.797 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -42.03 98.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 26' ' ' THR . 94.7 t -60.64 -54.08 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.721 ' O ' HG23 ' A' ' 35' ' ' THR . . . -57.13 -51.95 54.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.536 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.97 -40.46 93.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.541 HD11 ' HB ' ' A' ' 127' ' ' THR . 1.0 OUTLIER -63.84 -48.2 77.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.798 0.332 . . . . 0.0 110.858 -179.862 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.47 HD13 ' HB2' ' A' ' 184' ' ' LEU . 59.4 mt -57.98 -42.83 83.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.847 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 31' ' ' GLY . 30.0 p -63.73 -45.15 91.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.176 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -58.11 -55.21 37.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.703 HG22 HD11 ' A' ' 41' ' ' ILE . 9.2 p -60.18 -34.62 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.679 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -60.39 -48.72 80.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.933 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -65.69 -43.74 88.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -59.36 -44.92 92.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.703 HD11 HG22 ' A' ' 37' ' ' VAL . 41.6 mt -63.35 -50.26 79.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.08 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 38' ' ' LEU . 87.5 t -53.27 -54.84 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -58.82 -43.8 90.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.6 ttt -63.24 -31.77 73.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -71.09 -50.99 27.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -69.42 -28.52 66.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -58.21 -29.89 66.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.985 179.878 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.487 HD23 ' CE ' ' A' ' 114' ' ' LYS . 25.8 mt -59.19 -35.06 72.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.2 m -96.1 35.14 1.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.9 t30 62.71 26.2 15.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.33 42.54 90.06 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -97.67 118.75 34.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.4 p -61.7 -29.6 70.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.56 -35.21 79.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.58 -26.68 66.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 21.8 mtp -62.53 -38.27 89.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -116.13 28.7 8.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -90.11 -62.8 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.58 26.76 4.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -104.57 26.87 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.93 -30.61 6.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.408 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -106.33 -31.45 8.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.931 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.27 -28.52 69.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.823 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -61.72 -30.97 71.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -104.83 26.43 9.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.968 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -141.26 26.2 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.789 HD11 ' HE3' ' A' ' 174' ' ' LYS . 12.0 mt -116.44 123.96 48.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -115.53 26.47 10.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.801 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.49 HD23 ' HE1' ' A' ' 99' ' ' TYR . 8.6 mp -83.97 160.55 57.72 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.67 0.748 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.193 0 C-N-CA 122.734 2.289 . . . . 0.0 112.316 179.847 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 mptt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.737 0.303 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.9 mt 71.22 -68.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.14 179.848 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.4 m -50.69 -50.26 55.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.97 -52.45 63.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.791 -179.821 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.88 -45.02 95.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.417 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.606 HD13 HG12 ' A' ' 129' ' ' ILE . 20.7 mt -56.5 -46.83 80.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.362 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -49.26 78.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.972 179.811 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.61 -55.92 27.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.718 ' HB3' HD13 ' A' ' 176' ' ' LEU . 23.6 m-85 -55.22 -46.13 75.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.818 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -54.13 -48.0 71.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.72 -39.75 95.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.767 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.561 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.6 m-85 -60.15 -64.27 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.557 HD23 HD22 ' A' ' 176' ' ' LEU . 1.6 pp -55.11 -36.97 66.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -35.3 80.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -70.54 -52.01 24.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.024 -179.902 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.698 ' HE1' HD11 ' A' ' 110' ' ' LEU . 4.7 ppp? -66.71 -27.92 68.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.931 179.814 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -64.28 -29.16 70.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.96 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -59.9 -40.25 88.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -125.74 96.94 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.698 HD11 ' HE1' ' A' ' 106' ' ' MET . 6.0 mt -146.66 177.97 8.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -77.85 -176.01 4.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -62.7 -51.37 67.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.836 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.66 -48.04 50.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.771 -179.859 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.681 ' CB ' HD22 ' A' ' 110' ' ' LEU . 20.7 mmtm -55.69 -34.49 65.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -68.52 -45.17 72.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.15 -46.18 90.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.825 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.449 ' O ' HD13 ' A' ' 121' ' ' LEU . 10.9 mmpt? -72.07 -32.08 66.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.75 88.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.07 179.844 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -61.99 -49.37 76.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.19 -32.24 56.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.449 HD13 ' O ' ' A' ' 117' ' ' LYS . 2.0 mp -65.15 -51.81 58.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -64.69 -39.85 94.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -61.03 -52.04 66.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -58.66 -47.77 83.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.621 HG22 ' CD1' ' A' ' 129' ' ' ILE . 15.4 m -54.99 -51.04 67.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.159 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.6 -36.16 75.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.541 ' HB ' HD11 ' A' ' 33' ' ' LEU . 12.3 m -63.9 -56.17 17.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.411 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -61.84 -31.07 71.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.621 ' CD1' HG22 ' A' ' 125' ' ' THR . 63.1 mt -70.97 -39.16 74.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -38.2 71.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.4 mt -68.87 -48.54 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.186 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.561 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.6 m-85 -65.68 -45.17 83.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.851 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -64.16 -40.64 96.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.87 -179.8 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -63.68 -51.76 63.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.07 -51.93 67.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.871 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 132' ' ' PHE . 87.6 t -60.86 -50.18 81.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.179 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -52.03 -45.13 64.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -69.72 -34.69 74.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.834 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.977 0.417 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -51.61 -50.9 59.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -58.92 -42.88 90.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.5 mp -56.97 -62.08 1.99 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 7.9 mt -52.01 -55.11 22.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 40.7 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.972 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.781 0.324 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -54.25 -32.19 55.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -26.74 6.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -69.3 -69.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.7 m -48.44 -44.94 35.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.546 HG22 HD12 ' A' ' 173' ' ' LEU . 38.9 mm -63.25 -45.18 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -63.43 -31.25 72.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.982 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -55.4 8.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.817 -179.868 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' A' ' 102' ' ' TYR . 13.3 pt -59.15 -39.29 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.546 HD12 HG22 ' A' ' 169' ' ' ILE . 9.1 mt -67.67 -47.02 70.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.869 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 174' ' ' LYS . . . . . 0.789 ' HE3' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -56.63 -50.85 70.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.762 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.79 -45.73 92.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.848 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.718 HD13 ' HB3' ' A' ' 99' ' ' TYR . 16.0 tp -52.85 -52.89 55.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 177' ' ' GLU . . . . . 0.49 ' OE1' HG22 ' A' ' 42' ' ' VAL . 3.9 tt0 -59.67 -52.42 65.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.913 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -53.0 -48.11 67.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -65.28 -32.88 74.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.841 -179.866 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.436 HD12 HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -64.1 -64.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.942 179.953 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 181' ' ' LYS . . . . . 0.549 ' HD2' HG23 ' A' ' 182' ' ' VAL . 0.0 OUTLIER -56.54 -42.86 79.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.905 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.549 HG23 ' HD2' ' A' ' 181' ' ' LYS . 25.1 t -61.94 -52.64 58.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 179.833 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 37.5 m -55.48 -39.46 70.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.496 ' O ' HD22 ' A' ' 184' ' ' LEU . 1.4 tm? -64.23 -56.14 16.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 185' ' ' ARG . . . . . 0.483 ' N ' HD13 ' A' ' 184' ' ' LEU . 17.3 ptp180 -62.75 -24.31 67.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.879 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 38.4 t -74.24 -47.22 36.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 184' ' ' LEU . 9.0 t -70.44 -25.04 63.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.956 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.415 HG12 HG23 ' A' ' 26' ' ' THR . 16.2 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.928 0.394 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 60.12 24.21 13.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.953 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.415 HG23 HG12 ' A' ' 24' ' ' VAL . 3.9 p -103.35 172.9 6.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.213 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.76 -35.0 41.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.177 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.57 -45.31 72.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.871 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.83 -51.33 69.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 31' ' ' GLY . 20.7 m -61.29 -41.88 91.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 35' ' ' THR . . . -59.1 -52.47 53.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.47 -37.93 95.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.507 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.686 HD21 ' O ' ' A' ' 124' ' ' ASP . 5.2 tt -65.96 -38.75 89.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.766 0.317 . . . . 0.0 110.837 -179.903 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.495 HG21 ' HG ' ' A' ' 184' ' ' LEU . 12.7 mm -67.05 -42.59 88.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.089 179.864 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 31' ' ' GLY . 60.6 p -65.05 -47.9 75.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.219 179.901 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -61.39 -55.07 35.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.622 HG22 HD11 ' A' ' 41' ' ' ILE . 9.7 p -59.18 -33.48 50.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.649 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.2 mt -63.98 -48.33 76.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -64.66 -41.61 95.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -62.75 -45.28 93.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.622 HD11 HG22 ' A' ' 37' ' ' VAL . 33.5 mt -62.28 -44.11 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 38' ' ' LEU . 99.4 t -60.98 -45.24 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 179.852 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -69.63 -44.1 71.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.1 ttp -65.27 -31.84 73.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -74.29 -51.12 16.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.53 -28.7 67.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -59.95 -35.0 74.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.477 HD23 ' HE3' ' A' ' 114' ' ' LYS . 20.8 mt -53.87 -31.92 51.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.54 31.1 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.6 27.91 17.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.973 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.7 44.09 98.02 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -87.04 105.99 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 p -54.98 -27.95 47.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.886 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -34.99 41.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 49.2 t -62.1 -25.96 68.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.7 mtp -67.57 -34.81 77.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -125.55 35.6 4.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -84.71 -74.24 0.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -108.34 39.11 2.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.903 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.72 25.68 4.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.0 -31.75 14.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.57 -28.78 5.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.668 ' HB1' ' CE1' ' A' ' 171' ' ' PHE . . . -56.75 -33.27 66.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 179.802 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -64.34 -24.74 67.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -109.59 27.98 9.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -135.62 20.11 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -93.88 -38.57 11.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.11 20.99 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.793 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mp -84.2 160.73 56.74 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.625 0.726 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.197 0 C-N-CA 122.589 2.193 . . . . 0.0 112.332 179.883 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.817 0.341 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.9 mt 72.29 -63.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.188 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.6 p -50.36 -47.96 55.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 98.1 p -56.11 -52.52 64.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.906 -179.818 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.95 -51.19 59.7 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.438 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.646 HD23 HG12 ' A' ' 129' ' ' ILE . 2.1 mp -51.95 -49.98 62.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.93 -49.33 75.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.951 179.841 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.13 -48.98 67.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -58.69 -46.86 86.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -54.34 -46.24 72.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.801 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -39.22 93.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.749 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.707 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.2 m-85 -59.35 -63.77 1.18 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.905 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 122' ' ' GLN . 2.4 pp -53.65 -43.62 68.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.606 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.3 mm-40 -55.88 -43.61 77.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -64.84 -42.24 95.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.843 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.537 ' HG2' HD11 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -66.81 -37.06 83.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.88 179.895 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.577 ' HE3' ' HB1' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -51.3 -40.06 58.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.66 -26.7 64.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -134.92 92.07 2.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.823 HD22 ' HB3' ' A' ' 114' ' ' LYS . 10.9 mt -149.42 154.06 38.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.005 179.883 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -65.82 -177.85 0.51 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.955 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.9 -51.25 67.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -70.84 -45.49 64.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.823 ' HB3' HD22 ' A' ' 110' ' ' LEU . 19.1 mmtm -55.62 -45.79 77.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -47.53 84.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.07 -50.55 66.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 179.786 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -68.25 -36.98 80.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.577 ' HB1' ' HE3' ' A' ' 107' ' ' LYS . . . -55.1 -49.09 72.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.851 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -52.82 -37.04 59.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 88.4 t -72.81 -37.79 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.4 mp -66.38 -51.11 60.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.626 ' HB3' HD13 ' A' ' 103' ' ' LEU . 1.5 pp0? -63.17 -45.24 92.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -56.43 -52.21 65.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.686 ' O ' HD21 ' A' ' 33' ' ' LEU . 32.8 m-20 -57.87 -55.02 40.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.794 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.6 m -55.64 -44.51 77.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.27 -53.53 52.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.563 HG22 HD11 ' A' ' 131' ' ' ILE . 98.2 m -62.49 -36.56 82.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.067 -179.867 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.571 HD23 HD22 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -63.14 -51.94 64.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.993 179.92 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.646 HG12 HD23 ' A' ' 96' ' ' LEU . 7.5 mt -61.01 -38.43 79.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.23 179.729 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -46.24 89.17 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 179.848 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.563 HD11 HG22 ' A' ' 127' ' ' THR . 19.1 mt -63.29 -53.48 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.18 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -59.69 -50.3 74.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -57.9 -38.7 76.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -63.55 -50.15 70.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -52.19 66.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.791 -179.858 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.4 m -64.9 -30.01 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -69.06 -38.74 79.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.891 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.25 -39.43 59.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.829 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.479 ' O ' HD12 ' A' ' 153' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -52.03 -51.02 60.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.72 -42.14 67.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.97 -54.16 45.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 149' ' ' SER . 1.0 OUTLIER -51.8 -58.26 6.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 179.834 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.789 0.328 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -81.32 -18.14 46.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.965 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 4.5 m -50.68 -26.49 5.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -69.72 -69.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 90.5 m -48.46 -44.28 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.2 mm -63.7 -46.89 93.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -62.44 -31.27 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 0.668 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 1.1 m-85 -70.78 -55.26 8.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.707 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.6 pt -60.03 -36.78 69.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.149 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.45 -53.44 28.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -56.82 -44.97 82.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.823 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.5 t -63.94 -41.93 97.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.0 tp -58.95 -49.29 78.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -61.81 -57.44 11.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.661 ' O ' HG23 ' A' ' 182' ' ' VAL . 0.0 OUTLIER -53.59 -49.24 68.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.863 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -61.39 -41.48 97.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.417 HD23 ' HG ' ' A' ' 38' ' ' LEU . 27.7 tp -56.74 -48.67 77.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.949 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -64.22 -45.99 85.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.962 179.901 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 178' ' ' GLU . 60.8 t -61.76 -35.9 70.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.052 179.852 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.459 ' O ' HG22 ' A' ' 187' ' ' THR . 60.5 m -71.59 -41.86 68.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.594 ' O ' HD13 ' A' ' 184' ' ' LEU . 1.5 tm? -64.79 -41.28 95.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.99 -35.09 62.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 94.5 p -65.53 -52.03 55.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 -179.734 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 183' ' ' THR . 14.8 t -67.18 -22.92 65.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.973 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.404 ' O ' HG12 ' A' ' 24' ' ' VAL . 19.3 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.765 0.317 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 63.82 24.89 13.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.448 ' O ' HG23 ' A' ' 30' ' ' VAL . 1.3 p -87.93 165.66 15.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -51.59 -45.97 63.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.84 -51.33 57.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.774 -179.766 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -36.32 79.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 26' ' ' THR . 97.9 t -63.54 -54.16 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.164 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.716 ' O ' HG23 ' A' ' 35' ' ' THR . . . -59.37 -51.83 56.81 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.47 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.16 -42.95 95.51 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.463 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.772 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.5 OUTLIER -63.25 -50.79 68.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.77 0.319 . . . . 0.0 110.892 -179.904 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.601 ' N ' HD23 ' A' ' 33' ' ' LEU . 7.6 mm -53.98 -44.63 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 31' ' ' GLY . 32.1 p -64.73 -42.37 95.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -59.0 -55.36 36.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.7 HG22 HD11 ' A' ' 41' ' ' ILE . 7.2 p -61.06 -36.4 72.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.652 HD11 ' HG2' ' A' ' 181' ' ' LYS . 1.1 mm? -59.72 -48.2 82.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -66.38 -41.17 89.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.965 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -61.59 -42.67 99.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.7 HD11 HG22 ' A' ' 37' ' ' VAL . 32.9 mt -66.08 -49.01 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 38' ' ' LEU . 86.0 t -55.84 -49.48 74.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.102 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.1 -41.13 95.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -31.93 73.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -73.37 -51.24 18.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -28.81 67.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -59.9 -34.6 73.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.0 mt -53.95 -36.17 62.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 57.2 m -96.27 37.24 1.26 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 61.94 26.64 16.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.37 24.39 76.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -79.93 108.5 13.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m -56.1 -33.53 65.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.81 -179.799 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -58.53 -30.18 66.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.7 t -66.55 -32.08 73.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 33.7 mtp -66.5 -28.7 68.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.783 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -121.08 27.7 8.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.92 0.39 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -83.2 -61.41 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -100.12 32.88 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.02 27.59 3.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.75 -26.76 8.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 179.858 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.82 -34.19 3.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.602 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -51.85 -39.18 58.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.043 179.834 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -55.65 -30.95 61.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -103.41 26.3 8.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -140.43 26.12 2.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -110.02 129.24 55.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.74 25.9 5.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.837 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.665 HD12 ' CB ' ' A' ' 175' ' ' SER . 1.6 mt -83.86 155.01 64.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.543 0.687 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.15 0 C-N-CA 122.643 2.229 . . . . 0.0 112.308 179.877 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.1 mttt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.747 0.308 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.3 mt 71.07 -69.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.5 t -50.7 -45.73 58.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.6 p -54.02 -52.27 61.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.844 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.44 -46.01 91.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.541 HD21 HD11 ' A' ' 128' ' ' LEU . 15.4 mt -54.28 -48.98 70.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.364 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -49.11 75.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.84 -50.93 69.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -58.74 -47.75 83.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.44 ' HA ' HD21 ' A' ' 103' ' ' LEU . 85.7 t60 -54.33 -45.05 72.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.15 -36.84 82.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.827 -179.762 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -63.78 -60.21 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 104' ' ' GLU . 1.4 pp -57.32 -47.16 82.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.466 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -55.87 -45.74 78.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.893 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.735 ' CD1' HG22 ' A' ' 154' ' ' THR . 2.5 t80 -61.52 -48.61 80.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.983 -179.84 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.435 ' HG2' HD11 ' A' ' 110' ' ' LEU . 3.9 ttt -63.94 -29.39 70.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.94 179.833 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -27.31 68.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -60.07 -41.82 93.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -127.98 97.71 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.681 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.8 mt -149.16 178.11 9.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.988 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -82.12 -178.2 6.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 179.854 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -61.39 -51.47 68.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.862 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -68.19 -50.6 53.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.681 ' CB ' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -54.78 -39.81 68.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.911 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -49.75 59.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.817 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -51.82 -46.37 64.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -76.09 -31.91 58.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.84 -44.58 90.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -55.81 -49.4 73.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 89.0 t -62.09 -42.95 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.531 HD21 HG12 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -60.29 -48.01 83.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.98 179.903 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -51.12 71.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -53.8 -51.92 61.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -55.89 -47.29 77.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.545 HG22 ' CD1' ' A' ' 129' ' ' ILE . 11.3 m -54.46 -51.28 65.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.898 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.63 -33.02 74.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.538 ' HB ' HD11 ' A' ' 33' ' ' LEU . 24.4 m -69.54 -56.24 7.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.122 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.772 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.2 pp -60.48 -33.8 73.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.545 ' CD1' HG22 ' A' ' 125' ' ' THR . 67.9 mt -70.02 -44.67 78.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.78 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -62.54 -48.37 79.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.4 mt -62.25 -48.65 87.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.462 ' O ' HG23 ' A' ' 136' ' ' VAL . 4.2 m-85 -63.77 -39.93 95.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.32 -47.44 86.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -63.86 -50.55 68.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.12 -50.26 74.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 132' ' ' PHE . 73.4 t -64.58 -33.53 63.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -65.41 -43.21 91.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -82.73 -20.13 36.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.79 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 179.99 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.909 0.385 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -51.39 -49.1 62.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.08 79.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 21.5 mt -56.66 -53.39 58.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -54.5 -62.65 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.996 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.735 HG22 ' CD1' ' A' ' 105' ' ' TYR . 65.9 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.788 0.328 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -67.86 -25.81 65.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.57 -26.66 5.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.112 -179.91 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -69.0 -69.06 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 93.8 m -48.54 -44.82 36.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.172 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.2 mm -62.66 -44.88 99.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.174 179.849 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -34.22 75.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -54.94 12.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.837 -179.876 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 22.0 pt -60.1 -35.75 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 173' ' ' LEU . 18.1 mt -67.18 -52.97 34.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -56.37 -47.2 79.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.795 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.665 ' CB ' HD12 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -60.87 -47.92 84.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.872 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.4 tp -54.3 -52.2 62.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -57.09 -57.13 13.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -52.87 -46.52 67.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -54.88 -53.05 60.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.796 -179.832 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.23 -42.89 74.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 181' ' ' LYS . . . . . 0.652 ' HG2' HD11 ' A' ' 38' ' ' LEU . 5.4 mtmt -57.85 -60.34 3.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.875 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.23 -31.81 49.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.162 179.87 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 55.1 m -62.61 -45.11 94.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 184' ' ' LEU . 4.6 tp -71.78 -44.97 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -22.67 66.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 37.8 t -82.59 -51.64 7.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 7.5 t -56.28 -28.58 59.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 -179.938 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.808 -179.943 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.7 t . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.804 0.335 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 63.84 28.01 14.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.971 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.28 169.94 10.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 -179.908 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.5 p -51.74 -44.43 63.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.177 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.4 -51.46 58.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -61.19 -40.64 94.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.5 t -61.6 -54.3 36.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.93 -51.91 54.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.37 -38.46 93.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.647 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.6 OUTLIER -66.69 -37.85 85.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.7 0.286 . . . . 0.0 110.832 -179.873 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.568 HG22 HD12 ' A' ' 38' ' ' LEU . 23.4 mm -65.8 -51.24 64.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 t -61.87 -38.36 88.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -66.47 -55.59 14.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.484 HG22 HD11 ' A' ' 41' ' ' ILE . 7.8 p -61.23 -32.53 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.675 ' O ' HG23 ' A' ' 42' ' ' VAL . 9.8 mt -66.62 -48.55 69.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.4 t90 -63.29 -41.11 98.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.958 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -62.56 -48.7 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.484 HD11 HG22 ' A' ' 37' ' ' VAL . 46.3 mt -59.07 -46.79 91.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.047 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 38' ' ' LEU . 90.2 t -57.53 -54.74 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -56.78 -44.25 81.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.629 ' SD ' HD21 ' A' ' 173' ' ' LEU . 0.0 OUTLIER -65.98 -31.88 73.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.616 ' HA ' HD23 ' A' ' 173' ' ' LEU . 0.2 OUTLIER -67.68 -51.21 52.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.2 pttt -70.24 -28.63 65.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.47 -35.99 66.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.7 mt -61.22 -30.13 70.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 79.6 m -96.04 34.2 1.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 62.63 27.75 16.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.36 37.23 93.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.472 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -97.49 124.62 41.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -29.57 69.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.827 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.9 -41.28 77.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.32 -34.41 68.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.0 mtp -62.69 -29.05 70.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -119.82 27.16 8.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -97.24 -64.01 1.08 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.12 21.61 7.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -97.53 26.56 4.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.53 -29.69 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.73 -36.86 5.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.29 -39.3 63.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.788 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -59.79 -26.11 65.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -106.5 26.06 10.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -142.16 25.75 1.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.6 mt -118.51 132.8 56.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.14 23.37 12.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.854 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.467 HD12 ' OG ' ' A' ' 175' ' ' SER . 2.1 mt -83.99 154.64 64.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.142 0 C-N-CA 122.718 2.278 . . . . 0.0 112.334 179.826 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.0 mptt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.856 0.36 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.1 mt 70.79 -69.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 t -50.89 -49.59 59.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.812 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -53.96 -52.38 60.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.89 -46.01 95.0 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.401 HD13 HG12 ' A' ' 129' ' ' ILE . 16.7 mt -54.01 -49.01 69.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.809 0.338 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.1 mt -62.13 -49.11 77.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.54 -51.9 66.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -56.83 -49.43 75.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.002 -179.892 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.495 ' HA ' HD21 ' A' ' 103' ' ' LEU . 52.7 t-80 -54.13 -45.53 71.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.926 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.85 -39.58 94.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.797 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.451 ' HB3' HD12 ' A' ' 172' ' ' ILE . 21.5 m-85 -64.35 -64.45 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.495 HD21 ' HA ' ' A' ' 100' ' ' HIS . 2.2 pp -51.67 -42.07 61.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.822 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.455 ' HG2' HD12 ' A' ' 103' ' ' LEU . 4.6 mm-40 -64.23 -39.13 93.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.805 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.739 ' CE1' HG22 ' A' ' 154' ' ' THR . 5.9 t80 -63.73 -45.51 89.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.767 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 12.9 ptm -73.58 -31.01 63.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.852 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.714 ' HA ' HD12 ' A' ' 110' ' ' LEU . 1.1 tmtt? -51.71 -38.73 56.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.907 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.93 -44.21 94.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -104.32 84.27 2.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 107' ' ' LYS . 13.6 mt -149.18 177.77 9.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -84.7 -176.0 6.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.839 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -51.27 69.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.883 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.54 -50.65 57.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.855 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.565 ' HB3' HD13 ' A' ' 110' ' ' LEU . 9.1 mttt -55.62 -37.35 68.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -65.95 -53.08 43.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -52.96 -45.14 67.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.817 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -71.34 -37.3 71.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.2 -46.36 79.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.814 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -55.53 -38.27 69.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 85.9 t -72.7 -36.99 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.43 HD11 HG13 ' A' ' 41' ' ' ILE . 1.3 mp -66.44 -51.64 54.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -64.11 -44.16 93.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -59.06 -49.29 78.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -59.23 -47.31 85.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.681 HG22 ' CD1' ' A' ' 129' ' ' ILE . 10.5 m -55.46 -51.25 67.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 -179.9 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -59.01 -38.52 79.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.429 HG22 ' CD1' ' A' ' 131' ' ' ILE . 89.2 m -63.92 -54.35 36.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.885 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.647 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -62.42 -30.69 71.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.972 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.681 ' CD1' HG22 ' A' ' 125' ' ' THR . 48.6 mt -70.92 -40.65 76.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.845 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -70.64 -39.23 73.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.429 ' CD1' HG22 ' A' ' 127' ' ' THR . 27.3 mt -66.78 -51.6 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -63.32 -48.53 77.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -59.84 -40.48 88.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -63.79 -48.8 75.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.604 ' O ' HD12 ' A' ' 139' ' ' LEU . 1.0 OUTLIER -57.89 -52.14 66.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.837 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.4 m -65.8 -30.41 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.103 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -43.94 85.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -77.43 -30.61 53.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 135' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.911 0.386 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -50.75 -49.37 58.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.04 -48.52 75.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.0 mt -54.78 -55.0 34.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.07 -62.53 1.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.739 HG22 ' CE1' ' A' ' 105' ' ' TYR . 67.8 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.785 0.326 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -65.4 -42.82 92.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.795 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.64 -26.46 5.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.149 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -69.62 -69.03 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 70.8 m -48.5 -46.39 38.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 37.8 mm -60.92 -51.01 78.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -61.81 -27.96 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.52 -55.25 9.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.451 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.9 pt -61.1 -36.52 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.629 HD21 ' SD ' ' A' ' 44' ' ' MET . 1.0 OUTLIER -67.35 -49.71 62.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.901 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.4 ttpp -61.02 -48.06 83.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.809 179.84 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.467 ' OG ' HD12 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -61.45 -40.18 93.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.832 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 12.9 tp -63.37 -49.74 72.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -57.24 13.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -56.71 -36.04 69.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.445 ' HA ' HG12 ' A' ' 182' ' ' VAL . 36.0 t80 -70.14 -31.79 69.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 28.7 mt -72.22 -45.77 58.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.75 -43.95 87.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.794 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 179' ' ' PHE . 7.3 p -69.02 -34.0 61.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.883 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 6.1 m -69.09 -48.36 62.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.193 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.572 ' O ' HD13 ' A' ' 184' ' ' LEU . 3.3 tm? -71.32 -31.66 67.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -73.22 -38.44 66.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 6.5 t -73.48 -51.98 15.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.5 t -51.63 -31.49 25.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.415 HG12 HG23 ' A' ' 26' ' ' THR . 21.8 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.873 0.368 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 63.48 24.89 14.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.005 -179.833 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.458 ' O ' HG23 ' A' ' 30' ' ' VAL . 1.2 p -93.01 163.94 13.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.093 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -51.56 -47.0 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 p -52.52 -51.33 60.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.4 tm0? -60.89 -37.47 82.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 26' ' ' THR . 90.3 t -63.69 -54.04 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.714 ' O ' HG23 ' A' ' 35' ' ' THR . . . -58.07 -51.9 55.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.41 -45.08 94.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.459 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.683 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.7 OUTLIER -61.63 -50.22 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.68 0.276 . . . . 0.0 110.84 -179.861 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.532 HG21 ' CD2' ' A' ' 184' ' ' LEU . 5.3 mm -54.0 -46.47 65.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 179.878 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 31' ' ' GLY . 32.2 p -63.37 -40.66 97.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.082 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -59.7 -55.55 32.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.712 HG22 HD11 ' A' ' 41' ' ' ILE . 7.6 p -62.42 -38.21 80.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.181 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.4 mp -57.95 -48.29 80.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.949 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -66.52 -42.17 87.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -59.58 -43.03 93.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.712 HD11 HG22 ' A' ' 37' ' ' VAL . 24.2 mt -66.14 -49.74 74.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.914 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 38' ' ' LEU . 91.4 t -56.66 -46.66 82.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.153 179.883 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.37 -40.85 94.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.2 ttp -65.31 -31.55 72.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.519 ' NH1' HD12 ' A' ' 173' ' ' LEU . 0.0 OUTLIER -74.05 -51.59 15.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.826 -179.913 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -28.69 67.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -59.78 -34.64 73.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.404 HD23 ' HE3' ' A' ' 114' ' ' LYS . 21.9 mt -53.92 -38.47 64.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 57.8 m -97.45 37.16 1.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t30 63.23 37.01 11.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.24 44.1 91.57 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.459 179.884 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -100.91 109.34 21.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.744 0.306 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.6 -28.76 70.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.46 -26.14 66.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -26.18 68.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.7 mtp -67.71 -50.64 56.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -96.7 29.68 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.29 -48.57 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.01 23.37 13.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.47 -27.42 31.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.6 -33.23 66.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.92 -26.16 14.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.72 -33.46 48.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.801 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -51.97 -30.18 23.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -117.9 26.03 9.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -140.31 26.06 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 179.877 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.624 HD11 ' HE2' ' A' ' 174' ' ' LYS . 0.8 OUTLIER -118.75 -69.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.953 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 58.0 24.43 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 179.886 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.4 mp -82.23 160.69 62.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.169 0 C-N-CA 122.644 2.229 . . . . 0.0 112.349 179.905 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.2 mttt . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.706 0.288 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.61 HG22 HD11 ' A' ' 96' ' ' LEU . 70.9 mt -78.17 -31.46 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 179.883 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.9 p -61.68 -50.1 73.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.5 t -56.36 -52.04 66.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.05 -50.99 58.5 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.61 HD11 HG22 ' A' ' 92' ' ' ILE . 16.1 mt -55.12 -51.36 66.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 -179.89 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -49.25 67.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -50.36 70.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.555 ' CB ' HD13 ' A' ' 176' ' ' LEU . 23.7 m-85 -55.14 -46.88 75.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.964 -179.895 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -57.28 -49.21 76.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.772 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.9 p -61.99 -33.05 73.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.753 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.834 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.9 m-85 -68.21 -64.65 0.82 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.901 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 pp -53.04 -36.6 60.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.1 -46.34 74.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.822 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -59.0 -45.13 91.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.499 ' SD ' HG23 ' A' ' 169' ' ' ILE . 13.4 ptm -75.05 -27.22 59.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.88 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -67.99 -32.64 73.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.55 -25.53 64.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.34 90.01 2.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.623 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.6 mt -145.44 178.0 8.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.86 -175.94 3.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -63.81 -51.08 66.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.877 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -72.27 -46.94 53.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.623 ' CB ' HD22 ' A' ' 110' ' ' LEU . 18.8 mmtm -55.69 -36.65 67.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.865 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -69.89 -44.48 69.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.86 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -49.13 77.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.769 179.936 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -70.28 -41.18 73.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.69 -44.66 73.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.806 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -55.66 -49.66 72.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.86 -39.79 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.623 HD11 HG13 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -60.2 -50.05 75.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.901 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -59.75 -49.26 78.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -52.54 59.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -56.09 -45.99 79.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.618 HG22 ' CD1' ' A' ' 129' ' ' ILE . 7.5 m -55.68 -51.25 67.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 -179.781 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -60.8 -34.87 75.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.58 ' HB ' HD11 ' A' ' 33' ' ' LEU . 56.8 m -66.24 -56.03 13.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.683 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -61.04 -31.67 71.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.94 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.618 ' CD1' HG22 ' A' ' 125' ' ' THR . 63.8 mt -71.93 -39.84 67.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.791 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -68.93 -40.4 79.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 87.4 mt -69.14 -47.79 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.569 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.7 m-85 -65.22 -46.9 78.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -63.52 -40.49 97.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -63.0 -51.22 67.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.03 -52.05 67.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 132' ' ' PHE . 97.3 t -59.59 -52.85 56.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 26.8 tttm -52.26 -44.02 64.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.841 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -66.44 -37.7 85.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.893 179.821 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.949 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.7 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.932 0.396 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -50.69 -49.97 56.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.43 -47.36 76.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 16.1 mt -56.01 -53.82 52.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.842 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.81 -62.73 1.46 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.966 179.843 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 82.7 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.966 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.82 0.343 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -77.43 -29.99 53.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.852 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.57 -26.09 8.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.925 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -70.05 -69.5 0.35 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.8 m -48.72 -43.64 37.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.499 HG23 ' SD ' ' A' ' 106' ' ' MET . 32.2 mm -63.27 -52.67 55.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -26.32 66.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -72.73 -56.72 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.834 HD12 ' HB3' ' A' ' 102' ' ' TYR . 9.5 pt -61.57 -41.77 91.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.519 HD12 ' NH1' ' A' ' 45' ' ' ARG . 1.5 mm? -65.7 -47.77 74.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.965 179.898 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 174' ' ' LYS . . . . . 0.624 ' HE2' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -56.11 -48.83 75.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.901 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 20.0 t -60.96 -42.29 97.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.555 HD13 ' CB ' ' A' ' 99' ' ' TYR . 15.3 tp -56.53 -51.54 68.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 177' ' ' GLU . . . . . 0.472 ' HB2' HG21 ' A' ' 41' ' ' ILE . 3.0 tm-20 -59.47 -55.22 37.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.854 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -53.63 -49.01 68.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.508 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 82.3 t80 -54.26 -50.39 67.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.893 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 62.4 mt -57.55 -40.57 79.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.72 -61.77 2.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.816 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 6.4 p -57.25 -38.45 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 60.8 m -58.07 -48.34 80.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.234 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.532 ' CD2' HG21 ' A' ' 34' ' ' ILE . 6.7 tp -67.87 -35.69 78.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.984 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -29.13 67.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.915 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.7 t -82.33 -50.11 9.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.703 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.453 HG22 ' HA ' ' A' ' 184' ' ' LEU . 6.8 t -61.14 -17.92 55.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.173 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.829 -179.922 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 120.842 0.353 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 63.85 53.02 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.483 ' O ' HG23 ' A' ' 30' ' ' VAL . 10.1 p -107.01 162.79 13.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -51.42 -47.49 62.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 -179.94 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.52 -51.53 59.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.85 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -37.04 79.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 26' ' ' THR . 89.6 t -63.41 -54.43 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.18 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.714 ' O ' HG23 ' A' ' 35' ' ' THR . . . -57.88 -52.26 53.28 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.437 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.86 -43.74 94.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.536 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.833 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -63.58 -48.67 76.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.841 -179.865 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.569 ' N ' HD23 ' A' ' 33' ' ' LEU . 19.3 mm -54.49 -43.53 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.151 179.869 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 31' ' ' GLY . 29.7 p -65.65 -43.06 90.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.071 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -58.98 -55.5 34.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.715 HG22 HD11 ' A' ' 41' ' ' ILE . 7.3 p -59.67 -37.73 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.773 HD11 ' HG2' ' A' ' 181' ' ' LYS . 0.8 OUTLIER -58.59 -48.91 79.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.973 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -64.65 -42.89 95.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.16 -44.27 97.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.715 HD11 HG22 ' A' ' 37' ' ' VAL . 37.8 mt -61.94 -49.5 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.585 HG12 ' CE ' ' A' ' 46' ' ' LYS . 77.8 t -55.82 -58.71 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.041 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -55.95 -38.54 70.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.6 ttt -66.82 -31.93 72.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -51.22 21.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 -179.83 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.585 ' CE ' HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -70.68 -28.44 64.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.943 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -53.82 -36.8 62.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.0 mp -62.44 -30.28 71.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.77 34.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t30 60.41 33.95 20.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.846 179.934 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.99 44.72 94.42 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.497 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -99.66 112.01 24.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.82 -28.78 70.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.45 -26.98 64.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.879 179.9 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 12.3 t -68.26 -26.53 65.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.6 mmt -71.54 -36.96 71.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -100.99 27.99 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -101.52 -43.72 5.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.98 23.17 14.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -102.4 36.41 2.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.6 -33.44 4.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.65 -38.62 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.31 -33.31 63.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.714 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -57.81 -26.43 61.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -127.42 41.07 3.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -152.07 28.82 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.03 135.37 36.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.97 179.929 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.69 -24.22 58.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.891 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 mt -77.16 154.5 82.43 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.585 0.707 . . . . 0.0 110.952 179.892 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 C--N 1.342 0.223 0 C-N-CA 122.634 2.223 . . . . 0.0 112.348 179.918 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.5 mttt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.713 0.292 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mt 71.11 -68.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.066 179.811 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.6 p -50.75 -50.35 55.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.907 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.6 t -57.65 -52.33 65.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.839 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.33 -52.61 51.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.496 HD23 HG12 ' A' ' 129' ' ' ILE . 1.6 mp -60.96 -34.59 74.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.907 0.384 . . . . 0.0 110.911 -179.912 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.7 tp -63.86 -49.74 71.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -62.02 -52.3 64.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.599 ' HB3' HD13 ' A' ' 176' ' ' LEU . 22.9 m-85 -55.18 -41.23 71.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 -179.91 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.453 ' HA ' HD21 ' A' ' 103' ' ' LEU . 52.2 t-80 -63.35 -43.57 97.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.915 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.55 -28.81 68.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.959 -179.849 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.774 ' HB3' HD12 ' A' ' 172' ' ' ILE . 20.2 m-85 -72.77 -55.27 6.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.922 -179.879 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 104' ' ' GLU . 1.9 pp -60.45 -43.45 96.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.565 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.5 pp20? -67.68 -32.88 73.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.468 ' HE2' HD22 ' A' ' 153' ' ' LEU . 15.7 t80 -66.83 -49.6 65.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.799 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.731 ' CE ' HD11 ' A' ' 110' ' ' LEU . 24.1 ptm -65.68 -42.02 91.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.538 ' HB2' ' HB1' ' A' ' 118' ' ' ALA . 5.4 tptm -59.2 -28.51 66.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.84 -24.31 64.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -153.42 71.36 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.731 HD11 ' CE ' ' A' ' 106' ' ' MET . 4.1 mt -119.97 178.04 4.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -175.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.974 179.763 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.3 -50.46 60.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.874 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -76.23 -44.91 35.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.803 -179.849 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.529 ' HB3' HD13 ' A' ' 110' ' ' LEU . 20.9 mmtm -55.91 -32.7 64.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -70.25 -42.19 72.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.825 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.02 -38.4 88.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.944 179.846 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.6 -47.1 23.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 107' ' ' LYS . . . -57.35 -47.08 82.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.886 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -53.19 -50.51 64.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 -179.903 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.08 -46.65 94.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' A' ' 41' ' ' ILE . 0.2 OUTLIER -58.47 -42.68 88.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.016 179.879 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.523 ' HA ' HD13 ' A' ' 103' ' ' LEU . 2.0 tt0 -61.02 -50.08 74.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -54.88 -51.57 65.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.93 -50.48 70.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.635 ' HA ' HD23 ' A' ' 128' ' ' LEU . 6.8 m -56.84 -50.53 72.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.873 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -54.75 -39.12 67.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.2 m -64.59 -50.98 65.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.056 -179.897 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.833 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -63.5 -30.84 71.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.939 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.496 HG12 HD23 ' A' ' 96' ' ' LEU . 78.9 mt -72.98 -39.22 57.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.02 -39.85 75.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.876 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.6 mt -69.12 -47.69 73.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.55 ' O ' HG23 ' A' ' 136' ' ' VAL . 4.4 m-85 -63.58 -47.13 82.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.31 -39.78 94.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -61.39 -53.45 56.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.47 -51.97 67.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.9 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 132' ' ' PHE . 93.7 t -59.54 -36.62 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -69.21 -35.56 76.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.3 -36.97 69.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.851 179.859 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 97.4 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.957 0.408 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -51.73 -50.35 60.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.56 92.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.835 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.5 mt -58.25 -64.04 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.468 HD22 ' HE2' ' A' ' 105' ' ' TYR . 10.6 mt -51.88 -55.03 22.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 179.872 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 64.1 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.131 179.947 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.4 mm? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.871 0.367 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -78.98 -28.1 43.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.93 -26.46 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.91 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -69.65 -68.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.97 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 93.5 m -48.34 -44.92 34.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.7 mm -63.38 -46.2 96.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -62.89 -32.23 73.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -55.1 10.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.853 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.774 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.6 pt -60.27 -36.16 66.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.87 -55.69 13.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -55.35 -45.46 76.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.4 t -61.53 -44.7 96.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.599 HD13 ' HB3' ' A' ' 99' ' ' TYR . 19.2 tp -57.18 -50.84 71.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -57.11 14.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.773 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.6 ' O ' HG23 ' A' ' 182' ' ' VAL . 3.6 mm-40 -54.08 -48.27 70.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -57.54 -48.78 78.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.58 HD13 HD22 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -54.37 -50.81 66.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 181' ' ' LYS . . . . . 0.773 ' HG2' HD11 ' A' ' 38' ' ' LEU . 2.0 mttt -56.79 -48.51 77.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.87 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 178' ' ' GLU . 57.3 t -61.25 -44.08 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.814 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 93.2 m -57.51 -46.98 83.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.077 -179.928 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.445 ' O ' HD13 ' A' ' 184' ' ' LEU . 0.8 OUTLIER -63.13 -49.45 74.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.984 179.975 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 53.1 ttt-85 -61.85 -32.54 72.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 29.3 t -70.25 -51.91 27.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.8 t -63.48 -25.02 68.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.965 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.481 ' HB ' HG22 ' A' ' 26' ' ' THR . 47.6 t . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.759 0.314 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 63.66 37.34 10.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.887 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.651 ' O ' HG23 ' A' ' 30' ' ' VAL . 3.1 t -110.31 159.88 17.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.167 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.9 p -51.14 -48.99 61.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -51.61 62.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.787 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.618 ' H ' HG23 ' A' ' 26' ' ' THR . 68.4 mm-40 -61.09 -39.33 89.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 26' ' ' THR . 93.1 t -63.28 -54.51 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.708 ' O ' HG23 ' A' ' 35' ' ' THR . . . -55.89 -51.85 52.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.16 -43.73 96.89 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 -179.859 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.95 -50.09 70.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.721 0.296 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.576 ' O ' HD23 ' A' ' 38' ' ' LEU . 18.0 mm -53.74 -44.91 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.882 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 31' ' ' GLY . 42.8 p -64.98 -42.85 94.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -59.13 -55.47 34.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 179.885 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.712 HG22 HD11 ' A' ' 41' ' ' ILE . 8.4 p -60.56 -36.21 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.675 HD11 ' HG3' ' A' ' 181' ' ' LYS . 1.3 mm? -60.21 -48.36 82.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -65.37 -42.03 93.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.868 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.95 -42.32 98.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.712 HD11 HG22 ' A' ' 37' ' ' VAL . 35.6 mt -65.41 -45.64 92.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.214 179.884 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 38' ' ' LEU . 98.5 t -60.01 -44.52 94.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.143 179.833 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -70.24 -42.9 71.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.418 ' O ' HD13 ' A' ' 48' ' ' LEU . 13.8 ttt -65.86 -31.76 72.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.0 ttp85 -75.28 -51.11 14.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -28.74 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -55.58 -39.58 70.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.499 HD12 ' HE3' ' A' ' 114' ' ' LYS . 9.0 mp -54.15 -30.57 49.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.2 m -95.95 32.36 1.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 58.27 29.51 18.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.71 44.37 95.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.462 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -100.6 117.93 35.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.922 0.391 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 83.3 p -59.62 -27.17 66.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -40.4 94.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.849 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 t -61.51 -34.22 75.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.4 mtp -62.91 -45.26 93.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -104.18 26.18 9.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -83.51 -61.69 1.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.72 26.51 10.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -98.13 27.36 4.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.94 -30.96 8.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.031 -179.956 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.37 -31.09 5.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.68 -32.63 71.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 179.826 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -52.89 -32.78 47.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 -179.929 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -120.79 26.89 8.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.91 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -138.03 27.1 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.09 132.74 36.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.26 -25.99 63.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.768 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.0 mt -79.61 154.89 76.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.616 0.722 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.157 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 179.763 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.799 0.333 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.1 mt 71.06 -68.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 p -50.87 -49.63 58.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.5 t -57.0 -52.17 66.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 -179.762 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.82 -51.7 57.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.483 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.476 HD23 HG12 ' A' ' 129' ' ' ILE . 2.6 mp -59.35 -40.43 86.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 0.0 110.922 -179.893 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.605 HD23 ' N ' ' A' ' 98' ' ' GLU . 0.1 OUTLIER -64.94 -49.14 71.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.839 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.605 ' N ' HD23 ' A' ' 97' ' ' LEU . 80.8 mt-10 -58.96 -50.74 72.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.844 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.441 ' HB3' HD13 ' A' ' 176' ' ' LEU . 19.7 m-85 -57.98 -45.26 87.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.849 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -57.0 -48.5 78.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.67 -36.44 83.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.837 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.601 ' HB3' HD12 ' A' ' 172' ' ' ILE . 11.7 m-85 -62.75 -64.37 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.439 HD23 HD22 ' A' ' 176' ' ' LEU . 1.6 pp -54.48 -39.11 67.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.94 -37.1 86.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.756 ' CE1' HG22 ' A' ' 154' ' ' THR . 12.0 t80 -68.19 -50.14 56.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.915 -179.883 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.3 ptm -68.45 -26.83 65.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.856 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -65.33 -30.21 71.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.94 -37.84 80.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.959 179.935 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -124.79 95.99 4.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.624 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.4 mt -146.54 176.0 10.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.974 179.898 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -73.75 -175.92 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.859 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -62.71 -51.03 68.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -73.79 -46.19 47.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.624 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.9 mmtm -55.86 -37.09 68.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.904 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.17 -49.65 59.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.901 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -54.56 -47.36 73.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -71.31 -40.04 71.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.95 -43.42 73.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.081 179.832 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -55.73 -49.53 72.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.76 -44.59 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.49 -47.11 82.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -61.2 -50.83 71.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -53.21 55.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -55.09 -50.52 68.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.701 HG22 HD12 ' A' ' 129' ' ' ILE . 18.9 m -53.54 -43.9 68.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.178 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -68.43 -31.51 70.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.431 HG22 HD11 ' A' ' 131' ' ' ILE . 5.4 m -67.23 -56.55 9.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.906 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.433 HD12 HG13 ' A' ' 129' ' ' ILE . 0.6 OUTLIER -62.29 -42.56 99.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.982 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.701 HD12 HG22 ' A' ' 125' ' ' THR . 85.2 mt -64.53 -37.19 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.805 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -70.12 -41.52 73.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 179.854 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.431 HD11 HG22 ' A' ' 127' ' ' THR . 18.0 mt -64.8 -51.81 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.117 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.72 -49.97 72.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -57.58 -40.47 79.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -65.25 -46.52 80.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.09 -52.0 67.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.2 m -66.7 -30.5 49.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -36.34 77.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.875 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -77.82 -41.64 36.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.871 179.831 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.525 -0.019 0 CA-C-O 120.922 0.392 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -51.02 -49.41 60.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.93 -48.64 75.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.872 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 16.8 mt -54.61 -55.03 33.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.59 -62.9 1.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.756 HG22 ' CE1' ' A' ' 105' ' ' TYR . 56.9 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 179.928 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.807 0.336 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -66.37 -31.37 72.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.86 -26.38 5.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.852 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -69.44 -69.05 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.2 m -48.59 -44.93 37.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.106 -179.918 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.401 ' O ' HD23 ' A' ' 173' ' ' LEU . 39.5 mm -62.9 -46.15 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -62.95 -32.12 73.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.965 179.949 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.83 -55.09 10.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.601 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.9 pt -60.29 -36.11 66.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 169' ' ' ILE . 2.8 mm? -67.13 -54.87 17.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -55.26 -49.01 73.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.01 -47.45 85.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.441 HD13 ' HB3' ' A' ' 99' ' ' TYR . 7.6 tp -54.11 -52.01 62.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.62 -56.41 21.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.916 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.628 ' O ' HG23 ' A' ' 182' ' ' VAL . 0.3 OUTLIER -53.15 -50.14 65.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.874 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -57.56 -46.48 83.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.97 -179.928 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 9.9 mt -55.01 -49.72 70.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 181' ' ' LYS . . . . . 0.675 ' HG3' HD11 ' A' ' 38' ' ' LEU . 1.1 mtpm? -58.36 -49.74 76.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.91 179.861 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 178' ' ' GLU . 29.4 t -61.29 -36.38 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 179.879 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 97.0 m -63.27 -59.35 4.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.082 -179.962 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.486 ' O ' HD13 ' A' ' 184' ' ' LEU . 1.0 OUTLIER -55.87 -46.35 78.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.955 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 57.3 ttt85 -64.28 -33.85 76.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 30.4 t -71.04 -52.08 21.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.797 -179.763 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 8.9 t -61.61 -25.1 67.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.213 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.985 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.6 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.899 0.38 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 63.56 51.83 2.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.003 -179.873 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.48 HG23 ' H ' ' A' ' 29' ' ' GLN . 2.2 t -107.97 159.07 16.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -51.37 -47.13 62.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.27 -51.71 51.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.829 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.48 ' H ' HG23 ' A' ' 26' ' ' THR . 8.4 mm-40 -60.65 -41.57 95.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.973 -179.928 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.2 t -61.13 -54.53 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.185 179.902 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.73 -51.76 52.95 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.26 -40.46 93.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.953 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.671 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -65.28 -38.68 91.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.348 . . . . 0.0 110.924 -179.935 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.524 ' O ' HD23 ' A' ' 38' ' ' LEU . 25.0 mm -63.69 -55.88 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.895 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.6 t -57.82 -41.85 83.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -63.72 -55.14 25.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -31.88 41.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.666 ' O ' HG23 ' A' ' 42' ' ' VAL . 2.1 mm? -67.15 -49.0 66.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -61.74 -42.22 98.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.3 -48.07 81.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.0 mt -58.96 -41.45 83.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 38' ' ' LEU . 93.5 t -62.44 -50.36 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.113 179.826 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.61 -41.85 95.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.5 ttt -67.29 -34.79 78.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.8 ttp85 -68.21 -51.32 46.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.3 -28.31 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.71 -34.71 59.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.551 HD21 HG21 ' A' ' 169' ' ' ILE . 9.6 mp -67.51 -29.53 68.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.92 31.3 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 62.87 39.49 10.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 53.49 45.02 67.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.464 179.958 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -100.75 102.74 13.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 110.905 -179.875 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.69 -28.93 64.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.852 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -71.35 -26.59 62.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 48.1 t -65.54 -28.69 69.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.0 mtp -57.44 -33.34 67.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.935 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -120.55 26.94 8.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -86.26 -48.72 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.8 23.42 13.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -101.97 38.31 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.27 -25.1 9.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 -179.979 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.84 -37.78 2.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.859 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.496 ' HB1' ' CZ ' ' A' ' 171' ' ' PHE . . . -56.49 -28.32 59.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.15 179.813 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -56.45 -26.44 53.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -114.45 29.0 8.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -147.42 28.48 0.98 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.462 HD22 HD12 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -96.58 -47.93 5.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.994 179.941 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.98 23.95 10.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.785 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.462 HD12 HD22 ' A' ' 67' ' ' LEU . 20.4 mt -84.11 159.27 60.06 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.653 0.739 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.216 0 C-N-CA 122.632 2.221 . . . . 0.0 112.346 179.874 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.1 mttm . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.817 0.341 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.2 mt -115.6 -25.67 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.905 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.96 -33.01 70.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.874 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.8 t -57.34 -52.23 66.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.21 -51.13 40.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.996 HD21 HD11 ' A' ' 128' ' ' LEU . 1.2 tp -55.27 -44.86 76.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.94 0.4 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 45.3 mt -64.5 -49.25 72.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.42 -53.39 58.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -55.56 -46.6 77.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.439 ' HA ' HD21 ' A' ' 103' ' ' LEU . 22.2 t-80 -56.22 -47.49 78.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 p -63.72 -35.1 79.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.769 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.426 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.8 m-85 -66.17 -64.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.868 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 104' ' ' GLU . 1.2 pp -51.29 -46.23 62.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.454 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -57.34 -51.18 70.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.79 ' CD1' HG22 ' A' ' 154' ' ' THR . 1.7 t80 -54.8 -40.78 69.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.823 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.487 ' HG2' HD11 ' A' ' 110' ' ' LEU . 2.5 ttp -71.18 -31.58 67.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 179.913 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.533 ' HB2' ' HB1' ' A' ' 118' ' ' ALA . 4.7 tptm -65.62 -32.72 74.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -59.21 -20.69 56.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -144.56 79.4 1.6 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.595 HD13 ' HB3' ' A' ' 114' ' ' LYS . 5.2 mt -136.49 178.24 7.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -71.22 -177.46 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.827 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -63.4 -51.25 66.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.813 179.846 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -72.32 -49.14 36.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.595 ' HB3' HD13 ' A' ' 110' ' ' LEU . 6.2 mttt -55.72 -28.54 56.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -68.31 -45.65 72.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.564 ' O ' HG23 ' A' ' 120' ' ' VAL . 0.6 OUTLIER -67.69 -38.34 83.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.843 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -72.74 -48.96 34.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.935 179.899 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.533 ' HB1' ' HB2' ' A' ' 107' ' ' LYS . . . -58.03 -50.09 74.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.859 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -53.77 -49.99 67.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 116' ' ' ASP . 74.1 t -59.0 -43.35 88.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.62 -46.83 83.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -60.38 -48.47 81.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.893 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -53.82 -51.58 63.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.78 -49.6 76.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.761 HG22 HD11 ' A' ' 129' ' ' ILE . 4.7 m -56.46 -49.62 74.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 -179.912 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -55.32 -45.29 76.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.812 -179.894 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.503 HG22 HD11 ' A' ' 131' ' ' ILE . 2.0 m -59.3 -54.71 43.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 -179.907 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.996 HD11 HD21 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -60.57 -30.08 69.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.939 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.761 HD11 HG22 ' A' ' 125' ' ' THR . 25.7 mt -68.91 -44.11 81.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.816 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -66.28 -47.22 74.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.906 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.503 HD11 HG22 ' A' ' 127' ' ' THR . 7.2 mt -60.76 -52.27 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -62.14 -45.36 93.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -56.51 -42.46 78.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -65.65 -49.64 67.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -55.67 -52.28 64.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.808 -179.888 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.63 -31.14 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -41.12 97.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.858 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -88.17 -19.92 26.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.81 179.9 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.878 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.899 0.38 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -51.65 -50.35 60.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -52.51 -45.3 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.066 179.9 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 14.2 mt -60.46 -48.97 79.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.911 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.445 HD23 ' CE2' ' A' ' 105' ' ' TYR . 0.6 OUTLIER -54.04 -60.54 3.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.948 179.922 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.79 HG22 ' CD1' ' A' ' 105' ' ' TYR . 30.9 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.812 0.339 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.16 -26.2 66.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 179.881 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.8 -26.36 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -69.39 -69.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.0 m -48.84 -45.11 40.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.551 HG21 HD21 ' A' ' 48' ' ' LEU . 38.7 mm -62.75 -44.72 99.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.158 179.865 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -62.56 -33.02 74.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.992 179.858 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 0.496 ' CZ ' ' HB1' ' A' ' 63' ' ' ALA . 0.7 OUTLIER -70.09 -55.17 10.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.773 -179.912 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.426 HD12 ' HB3' ' A' ' 102' ' ' TYR . 25.2 pt -58.69 -35.72 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.73 -54.56 18.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -58.08 -49.93 75.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.846 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 86.7 p -60.69 -41.06 94.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.9 tp -58.22 -54.84 42.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 177' ' ' GLU . . . . . 0.546 ' OE1' HG22 ' A' ' 42' ' ' VAL . 3.3 tt0 -57.44 -56.66 18.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.874 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 182' ' ' VAL . 3.5 mt-10 -53.34 -44.3 68.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.403 ' HE1' HD13 ' A' ' 96' ' ' LEU . 44.6 t80 -57.69 -48.8 78.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.7 mt -57.56 -53.26 60.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 181' ' ' LYS . . . . . 0.505 ' CG ' HD11 ' A' ' 38' ' ' LEU . 29.5 mtmt -51.76 -50.51 60.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.786 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 178' ' ' GLU . 85.1 t -59.1 -45.9 92.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 179.834 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 48.4 m -59.31 -34.56 72.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.478 ' O ' HG22 ' A' ' 187' ' ' THR . 1.1 tm? -70.54 -52.09 24.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 50.7 ptt85 -67.98 -19.96 64.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.795 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 74.8 p -80.79 -49.45 11.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.823 -179.728 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 184' ' ' LEU . 8.9 t -59.8 -23.03 62.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.991 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.476 ' HB ' HG22 ' A' ' 26' ' ' THR . 50.4 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.814 0.34 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 63.46 25.23 14.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.816 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.476 HG22 ' HB ' ' A' ' 24' ' ' VAL . 9.0 t -109.64 168.61 9.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.75 -36.8 27.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.01 -43.27 75.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.924 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.406 ' H ' HG23 ' A' ' 26' ' ' THR . 30.4 tp60 -62.68 -51.49 67.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.438 HG23 ' N ' ' A' ' 31' ' ' GLY . 19.2 m -60.44 -43.98 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 179.9 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.7 ' O ' HG23 ' A' ' 35' ' ' THR . . . -58.67 -52.31 53.79 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.459 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.94 -39.79 97.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.544 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.568 HD21 ' O ' ' A' ' 124' ' ' ASP . 3.3 tt -64.35 -46.94 81.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.338 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.541 ' O ' HD23 ' A' ' 38' ' ' LEU . 21.5 mm -59.05 -42.97 88.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.792 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 31' ' ' GLY . 34.9 p -64.88 -43.65 92.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -58.88 -55.59 33.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.771 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.717 HG22 HD11 ' A' ' 41' ' ' ILE . 9.1 p -60.01 -35.6 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.753 HD11 ' HG3' ' A' ' 181' ' ' LYS . 1.0 OUTLIER -60.35 -48.59 81.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.6 t90 -65.28 -41.81 93.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -62.69 -41.5 99.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.717 HD11 HG22 ' A' ' 37' ' ' VAL . 36.3 mt -65.23 -47.42 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 38' ' ' LEU . 92.0 t -58.87 -46.76 90.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.189 179.871 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.8 -42.1 82.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.406 ' O ' HD13 ' A' ' 48' ' ' LEU . 3.0 ttt -66.01 -31.82 72.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 179.912 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -51.04 17.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.859 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -69.23 -28.79 66.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.941 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.55 -39.91 74.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.508 HD12 ' HE2' ' A' ' 114' ' ' LYS . 7.4 mp -55.25 -28.88 56.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.905 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.8 m -98.41 31.03 2.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 179.85 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.21 28.6 18.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.77 43.02 92.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.93 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -99.53 107.61 19.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 110.909 -179.863 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.6 p -54.45 -29.7 50.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.787 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -31.09 72.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.6 t -63.31 -27.28 69.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.8 mtp -63.71 -50.22 70.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -110.83 37.42 2.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.812 -179.85 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -76.64 -43.09 39.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.498 ' CG ' HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -143.9 27.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 -179.989 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.51 ' HA ' ' HB3' ' A' ' 63' ' ' ALA . 5.2 p-10 -77.33 -26.08 51.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.791 -179.931 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.64 -34.9 53.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.498 HD21 ' CG ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -102.4 -31.11 10.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.933 -179.995 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' ' 60' ' ' ASP . . . -59.26 -33.85 71.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.738 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -53.71 -31.68 49.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -114.94 34.04 5.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -142.92 26.77 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.947 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.0 132.56 50.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.8 -26.06 20.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.816 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.64 160.8 49.98 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.7 0.762 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo . . . . . 0 C--N 1.342 0.219 0 C-N-CA 122.744 2.296 . . . . 0.0 112.272 -179.988 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.776 0.322 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.2 mt -91.75 -37.17 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.853 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 m -52.06 -44.47 64.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.0 m -57.19 -51.96 67.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.846 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -55.67 -51.15 56.84 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.852 HD12 HD11 ' A' ' 129' ' ' ILE . 0.7 OUTLIER -56.42 -45.88 80.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.358 . . . . 0.0 110.879 -179.878 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -49.33 76.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -56.64 -52.67 64.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -56.32 -45.15 80.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.824 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -56.23 -48.4 76.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 m -62.77 -37.61 87.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.751 -179.772 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.634 ' HB3' HD12 ' A' ' 172' ' ' ILE . 14.1 m-85 -61.57 -63.57 1.23 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 -179.884 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.0 pp -55.91 -35.86 67.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.04 -46.11 90.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 179.862 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.709 ' CE1' HG22 ' A' ' 154' ' ' THR . 9.1 t80 -65.54 -42.98 91.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.759 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.8 ttt -70.35 -25.85 63.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -70.66 -26.04 63.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -36.53 77.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -129.25 97.16 4.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.887 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.68 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.0 mt -149.05 176.14 10.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.956 179.933 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -75.39 -175.98 2.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.832 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -51.02 68.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -73.91 -45.91 47.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.68 ' CB ' HD22 ' A' ' 110' ' ' LEU . 0.6 OUTLIER -55.71 -39.67 71.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.868 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -65.56 -49.62 68.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.834 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -54.38 -48.39 71.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.864 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -67.64 -40.99 84.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.92 -46.06 74.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 179.83 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 14.1 ttt-85 -55.65 -49.59 72.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.8 -179.897 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 90.2 t -60.12 -40.45 83.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.635 HD21 HG12 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -59.75 -50.21 74.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.948 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -59.37 -51.64 69.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -53.95 -53.15 56.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.568 ' O ' HD21 ' A' ' 33' ' ' LEU . 28.1 m-20 -53.95 -46.42 71.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.65 HG22 ' CD1' ' A' ' 129' ' ' ILE . 9.4 m -58.11 -47.13 84.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 -179.936 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.64 -33.33 74.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.1 m -69.14 -56.2 8.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.924 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 pp -59.73 -33.21 71.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.961 179.916 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.852 HD11 HD12 ' A' ' 96' ' ' LEU . 66.7 mt -71.74 -42.92 70.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -43.84 95.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 179.934 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 52.5 mt -67.29 -53.02 36.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -58.67 -48.52 80.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -61.31 -41.31 96.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -63.19 -40.68 98.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -65.38 -52.17 55.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 34.3 m -64.94 -33.54 64.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 -179.935 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.04 -41.17 78.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -78.31 -25.37 46.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.996 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.888 0.375 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -50.97 -49.9 59.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.33 -53.23 56.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.028 179.874 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.0 mp -51.75 -53.83 35.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.422 HD11 HG21 ' A' ' 168' ' ' THR . 3.9 mm? -52.69 -64.23 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.709 HG22 ' CE1' ' A' ' 105' ' ' TYR . 64.2 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.931 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 164' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 165' ' ' ARG . 4.5 pp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.836 0.35 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 165' ' ' ARG . . . . . 0.422 ' N ' HD12 ' A' ' 164' ' ' LEU . 32.7 ptt85 -57.31 -28.93 63.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.84 -26.73 10.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.194 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -69.76 0.33 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.819 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 168' ' ' THR . . . . . 0.422 HG21 HD11 ' A' ' 153' ' ' LEU . 98.3 m -48.77 -45.18 39.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.23 179.945 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.475 HG21 HD21 ' A' ' 48' ' ' LEU . 1.7 mp -61.6 -49.78 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.854 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.46 -29.37 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -55.22 9.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.634 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.2 pt -61.93 -37.0 77.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.26 -53.05 33.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -58.72 -43.07 90.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.871 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 5.2 t -64.23 -42.46 96.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.544 HD11 HD11 ' A' ' 180' ' ' LEU . 11.6 tp -62.8 -41.11 99.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.0 -57.25 8.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.824 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -56.66 -37.18 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.792 -179.867 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.84 -48.78 70.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 -179.89 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.544 HD11 HD11 ' A' ' 176' ' ' LEU . 31.2 mt -60.72 -37.7 82.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.869 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 181' ' ' LYS . . . . . 0.753 ' HG3' HD11 ' A' ' 38' ' ' LEU . 3.3 mtpp -66.55 -59.77 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 179.867 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 11.3 p -56.87 -31.05 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 179.884 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 98.7 m -78.02 -32.92 51.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.499 ' HG ' HG21 ' A' ' 34' ' ' ILE . 3.2 tm? -72.47 -35.71 68.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.896 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.63 -37.65 24.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 48.3 t -69.68 -49.13 56.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.3 t -51.85 -29.7 20.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.997 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.794 0.33 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 63.41 54.16 2.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.835 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.469 HG23 ' H ' ' A' ' 29' ' ' GLN . 6.6 t -119.79 164.99 15.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.96 -34.15 19.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -68.45 -44.9 73.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.869 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.469 ' H ' HG23 ' A' ' 26' ' ' THR . 1.2 tm0? -61.3 -50.61 72.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.0 m -62.22 -39.95 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.63 -52.82 50.13 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.432 179.913 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.21 -36.31 92.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.447 -179.87 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.691 HD21 ' O ' ' A' ' 124' ' ' ASP . 7.6 tt -69.33 -35.97 76.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.789 0.328 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.772 HG21 HD22 ' A' ' 184' ' ' LEU . 40.1 mt -68.53 -47.89 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.092 179.875 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.8 t -64.29 -40.43 95.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -65.18 -55.06 20.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.527 HG22 HD11 ' A' ' 41' ' ' ILE . 8.5 p -60.43 -33.29 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 -179.948 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' ' 180' ' ' LEU . 8.4 mt -64.73 -49.01 72.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.0 t90 -63.21 -42.62 99.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -43.67 98.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.527 HD11 HG22 ' A' ' 37' ' ' VAL . 33.4 mt -61.75 -47.02 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.46 HG12 ' HD3' ' A' ' 46' ' ' LYS . 86.4 t -59.49 -44.31 92.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.893 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -69.09 -42.56 75.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.3 -31.78 72.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.54 -51.06 13.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -68.39 -28.72 67.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.93 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -53.72 -40.92 66.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.453 HD21 HG21 ' A' ' 169' ' ' ILE . 9.7 mp -54.9 -27.69 44.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.13 31.13 2.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.836 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.06 26.19 15.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.23 42.55 99.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -89.42 106.58 18.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.901 -179.887 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.9 p -52.62 -39.52 61.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.791 -179.837 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -65.59 -37.41 86.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.6 t -54.37 -27.45 36.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.5 mtp -67.98 -50.94 52.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -102.35 32.95 3.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.49 -62.46 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.6 29.98 7.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.914 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -96.22 29.76 2.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.61 -35.08 6.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.28 -36.1 5.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.58 -30.83 71.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 179.775 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.49 -27.29 68.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 -179.934 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.44 27.31 9.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -139.7 26.15 2.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.436 HD23 ' CD2' ' A' ' 171' ' ' PHE . 0.7 OUTLIER -92.19 -40.67 10.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.984 179.924 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.47 22.32 9.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.778 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.7 mt -84.03 158.47 61.56 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.712 0.767 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.343 0.237 0 C-N-CA 122.658 2.238 . . . . 0.0 112.365 179.828 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.0 mttt . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.888 0.375 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.7 mt -90.08 -41.37 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.221 179.802 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -47.85 81.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 -179.856 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.3 t -53.83 -52.32 60.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.834 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.85 -51.04 61.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.455 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.498 HD23 HG12 ' A' ' 129' ' ' ILE . 0.9 OUTLIER -55.57 -48.94 73.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.861 0.362 . . . . 0.0 110.912 -179.886 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.89 -49.19 76.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.88 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -54.96 -49.97 70.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -55.89 -50.18 71.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.933 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.458 ' HA ' HD21 ' A' ' 103' ' ' LEU . 38.7 t-80 -55.6 -43.7 76.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.3 m -63.64 -38.57 91.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.661 ' HB3' HD12 ' A' ' 172' ' ' ILE . 21.6 m-85 -63.97 -61.65 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 -179.921 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.547 HD13 ' HA ' ' A' ' 122' ' ' GLN . 2.4 pp -54.23 -38.83 66.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.538 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -68.5 -35.45 77.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.977 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -70.68 -38.34 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 -179.842 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.565 ' HG2' HD11 ' A' ' 110' ' ' LEU . 3.6 ttp -75.13 -34.56 61.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.93 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.428 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -62.69 -25.79 68.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.959 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -59.84 -39.99 87.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.971 179.864 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -130.25 98.82 4.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.625 HD22 ' CB ' ' A' ' 114' ' ' LYS . 8.5 mt -149.03 178.02 9.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -79.19 -176.0 4.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.796 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -62.59 -51.06 68.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.882 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.48 -48.78 59.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.625 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.9 mmtm -55.96 -37.46 69.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -52.91 39.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.832 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -53.16 -45.89 68.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.896 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -70.68 -40.01 73.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.79 -42.66 75.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.038 179.802 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -55.6 -43.64 76.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.82 -34.75 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.417 HD21 HG12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -66.53 -52.08 49.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.997 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.547 ' HA ' HD13 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -64.83 -42.36 95.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.931 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -58.87 -53.14 61.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.691 ' O ' HD21 ' A' ' 33' ' ' LEU . 80.5 m-20 -56.87 -55.22 37.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.769 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.7 m -55.91 -44.57 78.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.843 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -53.97 -53.45 52.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.421 HG22 ' CD1' ' A' ' 131' ' ' ILE . 98.7 m -61.41 -36.05 79.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.577 HD23 HD22 ' A' ' 33' ' ' LEU . 1.1 tm? -64.06 -52.08 61.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.498 HG12 HD23 ' A' ' 96' ' ' LEU . 10.2 mt -60.08 -37.87 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.873 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.67 -48.17 78.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.735 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.421 ' CD1' HG22 ' A' ' 127' ' ' THR . 35.2 mt -64.01 -53.32 45.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.623 ' O ' HG23 ' A' ' 136' ' ' VAL . 2.8 m-85 -57.99 -41.69 83.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -61.6 -49.47 76.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -56.98 -51.24 70.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -56.0 -52.01 65.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 132' ' ' PHE . 99.0 t -59.73 -44.39 93.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.1 179.928 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -56.66 -44.25 81.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -77.11 -23.06 51.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 179.854 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.739 ' O ' HD12 ' A' ' 153' ' ' LEU . 25.4 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.819 0.343 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -51.46 -45.42 62.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -63.45 -31.92 73.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.049 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 24.9 mt -69.2 -57.57 5.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.739 HD12 ' O ' ' A' ' 149' ' ' SER . 1.5 mp -56.85 -46.32 81.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 65.9 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.136 179.963 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.7 mp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.874 0.368 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -56.61 -28.47 60.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -27.05 11.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 -179.922 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -69.78 -69.61 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.893 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.7 m -48.65 -45.87 39.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.453 HG21 HD21 ' A' ' 48' ' ' LEU . 1.7 mp -61.14 -50.23 81.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -58.24 -30.99 66.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.995 179.85 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 0.436 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -71.14 -55.35 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.967 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.661 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.0 pt -61.92 -37.2 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.032 -179.947 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.22 -56.4 10.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -54.02 -45.24 71.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 8.3 t -60.83 -49.34 77.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.1 tp -53.11 -55.71 21.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.36 -53.42 54.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.837 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.547 ' O ' HG23 ' A' ' 182' ' ' VAL . 0.0 OUTLIER -53.03 -46.15 68.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.948 -179.912 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.436 ' HE2' HD13 ' A' ' 96' ' ' LEU . 39.1 t80 -62.68 -36.0 81.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.585 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -63.22 -58.79 6.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -45.88 79.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.845 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 178' ' ' GLU . 69.3 t -61.21 -52.78 57.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 54.8 m -51.53 -49.79 61.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.772 HD22 HG21 ' A' ' 34' ' ' ILE . 5.8 tp -61.38 -41.23 96.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -64.16 -30.8 71.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 26.9 t -74.51 -52.06 13.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 -179.83 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.2 t -59.87 -32.66 70.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.85 -179.992 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.408 ' O ' HG12 ' A' ' 24' ' ' VAL . 18.8 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.828 0.347 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 63.68 54.29 1.88 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 -179.884 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.474 HG23 ' H ' ' A' ' 29' ' ' GLN . 1.8 t -108.51 159.07 16.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.171 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -51.08 -47.52 61.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.8 m -51.56 -51.33 56.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.474 ' H ' HG23 ' A' ' 26' ' ' THR . 6.4 tp-100 -61.01 -39.38 89.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 26' ' ' THR . 95.3 t -61.76 -54.4 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.56 -52.17 53.46 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.437 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.31 -39.47 92.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.523 -179.912 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.655 HD21 ' HB3' ' A' ' 128' ' ' LEU . 1.0 OUTLIER -66.45 -39.95 89.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 -179.909 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.456 HG13 HD23 ' A' ' 184' ' ' LEU . 21.7 mm -62.46 -53.07 52.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.854 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 t -61.26 -37.82 84.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -67.33 -55.27 14.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.563 HG22 HD11 ' A' ' 41' ' ' ILE . 9.1 p -62.15 -32.4 54.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.647 ' O ' HG23 ' A' ' 42' ' ' VAL . 16.4 mt -67.03 -48.3 68.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -63.97 -40.54 96.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -49.55 74.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.563 HD11 HG22 ' A' ' 37' ' ' VAL . 38.4 mt -58.96 -46.16 91.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.084 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 38' ' ' LEU . 97.7 t -59.37 -46.65 92.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.886 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -65.81 -42.89 90.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.9 ttt -66.72 -31.87 72.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -73.88 -50.44 20.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.503 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -70.0 -28.85 65.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.949 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -54.06 -36.64 63.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mp -58.38 -28.81 65.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 98.1 m -97.25 29.26 3.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.4 t30 58.55 26.47 14.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.74 35.92 49.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.41 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -90.75 115.25 27.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.792 0.329 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.4 p -62.95 -40.04 96.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.62 -26.22 63.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -29.61 70.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.915 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.456 ' HE2' ' HB3' ' A' ' 46' ' ' LYS . 5.5 mtp -63.37 -49.21 74.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -110.44 33.78 4.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -69.62 -42.22 74.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.18 27.43 0.94 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 179.894 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.47 ' HA ' ' HB3' ' A' ' 63' ' ' ALA . 7.0 p-10 -76.67 -25.91 54.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.971 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.8 -29.92 21.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.084 179.914 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.88 -38.47 5.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 60' ' ' ASP . . . -52.66 -38.99 61.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 179.862 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -54.7 -29.74 53.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.878 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -108.34 28.83 7.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -136.82 26.82 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.005 HD23 HD21 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -107.9 126.88 53.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 179.939 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.5 -28.26 25.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.836 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.005 HD21 HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -63.77 156.26 73.26 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.593 0.711 . . . . 0.0 110.989 179.883 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.155 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 179.909 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.784 0.326 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.1 mt -117.22 -26.88 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -48.81 50.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.907 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.4 m -53.88 -52.21 61.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.97 -50.95 62.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.543 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.475 HD13 HG12 ' A' ' 129' ' ' ILE . 39.1 mt -55.46 -50.46 69.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.836 0.35 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.7 -49.29 73.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.849 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -51.38 65.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.75 ' HB3' HD13 ' A' ' 176' ' ' LEU . 25.1 m-85 -55.53 -48.81 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -54.86 -47.52 74.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.1 t -62.28 -37.23 84.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.912 -179.844 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.691 ' HB3' HD12 ' A' ' 172' ' ' ILE . 18.5 m-85 -64.15 -64.51 0.87 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 pp -53.33 -37.61 62.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.27 -38.43 85.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.611 ' CE2' HD22 ' A' ' 153' ' ' LEU . 53.8 t80 -66.85 -42.35 85.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.899 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.481 ' HG2' HD11 ' A' ' 110' ' ' LEU . 4.5 ttp -74.93 -34.14 62.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.416 ' HA ' HD12 ' A' ' 110' ' ' LEU . 3.2 tmtt? -60.79 -27.93 68.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.91 -41.27 91.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.892 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -126.3 96.62 4.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.624 HD22 ' CB ' ' A' ' 114' ' ' LYS . 7.7 mt -148.36 177.96 8.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -78.86 -176.15 4.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 179.89 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -62.43 -51.08 68.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.82 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -70.46 -48.39 56.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.624 ' CB ' HD22 ' A' ' 110' ' ' LEU . 19.8 mmtm -55.94 -36.93 68.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 179.919 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -51.49 47.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.779 179.895 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.74 -48.09 69.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -69.86 -39.52 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.95 -46.05 74.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.183 179.876 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -55.73 -49.56 72.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.8 -179.932 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.38 -43.04 93.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.11 -50.06 75.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -58.49 -49.51 77.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -53.93 -53.07 57.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.88 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -55.44 -45.65 76.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.624 HG22 ' CD1' ' A' ' 129' ' ' ILE . 6.7 m -56.13 -51.4 68.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.154 -179.935 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -63.04 -30.65 71.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.51 ' HB ' HD11 ' A' ' 33' ' ' LEU . 85.9 m -68.81 -52.44 30.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.16 -179.92 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.655 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -65.73 -32.32 73.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.818 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.624 ' CD1' HG22 ' A' ' 125' ' ' THR . 72.9 mt -72.58 -39.06 60.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.895 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -71.8 -38.48 70.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.456 ' CD1' HG22 ' A' ' 127' ' ' THR . 29.2 mt -70.41 -45.68 74.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.55 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.7 m-85 -67.77 -43.28 80.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -65.91 -43.31 88.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -63.8 -48.27 77.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.95 -52.0 67.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 132' ' ' PHE . 98.5 t -63.14 -38.03 80.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.854 179.929 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -71.78 -35.61 70.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 7.2 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.983 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.929 0.395 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -51.94 -50.98 60.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.43 -39.59 88.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.87 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 25.0 mt -59.47 -63.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.611 HD22 ' CE2' ' A' ' 105' ' ' TYR . 5.5 mt -52.86 -52.9 55.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 58.6 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.978 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 2.5 tp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.795 0.331 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -63.85 -26.98 68.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -26.52 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.58 -68.97 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.873 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.8 m -48.61 -44.7 37.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.1 mm -63.15 -46.51 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.158 179.866 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -62.93 -32.1 73.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.74 -54.97 11.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.691 HD12 ' HB3' ' A' ' 102' ' ' TYR . 21.2 pt -60.52 -36.03 67.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.53 -50.56 58.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.88 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -58.36 -44.38 88.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.568 ' CB ' HD11 ' A' ' 69' ' ' LEU . 2.6 p -64.91 -43.76 91.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.75 HD13 ' HB3' ' A' ' 99' ' ' TYR . 16.6 tp -57.43 -55.91 28.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.76 -53.04 62.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.909 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.573 ' O ' HG23 ' A' ' 182' ' ' VAL . 5.9 mt-10 -53.08 -48.87 67.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.909 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -58.48 -47.43 84.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.873 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.575 HD21 HD22 ' A' ' 128' ' ' LEU . 2.3 mt -54.26 -55.64 26.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -54.12 -53.77 48.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 178' ' ' GLU . 59.0 t -56.92 -35.8 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.096 179.911 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 96.6 m -63.37 -60.22 3.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.622 ' O ' HD13 ' A' ' 184' ' ' LEU . 1.1 tm? -55.41 -37.85 68.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 30.6 ttt-85 -68.6 -47.89 65.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 3.4 t -60.28 -52.17 66.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.729 -179.726 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.7 t -60.61 -23.68 64.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 33.6 mtp85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 -179.969 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.853 0.359 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 63.53 41.12 7.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.529 HG23 ' H ' ' A' ' 29' ' ' GLN . 2.8 t -108.04 160.19 15.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.0 p -51.16 -48.46 61.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.208 179.975 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.83 -51.51 56.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.529 ' H ' HG23 ' A' ' 26' ' ' THR . 1.5 tm0? -61.4 -41.93 97.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 26' ' ' THR . 91.6 t -60.97 -54.25 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.7 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.33 -51.62 54.95 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 179.961 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.88 -42.15 94.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.904 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.509 HD11 ' HA ' ' A' ' 124' ' ' ASP . 0.8 OUTLIER -64.42 -50.66 66.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.718 0.294 . . . . 0.0 110.953 -179.949 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.641 HG21 ' HG ' ' A' ' 184' ' ' LEU . 24.2 mm -53.9 -44.2 60.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.822 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 31' ' ' GLY . 33.8 p -64.58 -45.6 86.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -62.51 -55.15 30.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.486 HG22 HD11 ' A' ' 41' ' ' ILE . 8.5 p -59.69 -33.4 51.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.894 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.623 ' O ' HG23 ' A' ' 42' ' ' VAL . 12.4 mt -65.1 -48.33 74.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.6 t90 -63.47 -41.19 98.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.886 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -62.13 -47.31 85.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.486 HD11 HG22 ' A' ' 37' ' ' VAL . 43.7 mt -60.4 -48.12 89.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 38' ' ' LEU . 86.6 t -56.6 -55.37 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.788 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -57.42 -45.84 84.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.502 ' SD ' HD11 ' A' ' 173' ' ' LEU . 0.0 OUTLIER -63.08 -31.89 73.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.825 179.962 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.19 -51.24 40.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -70.66 -28.64 64.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -56.59 -29.97 62.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.3 mt -62.94 -26.82 69.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 60.5 m -102.72 29.93 5.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.882 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 t30 62.76 32.42 16.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.85 35.85 92.54 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -90.78 107.18 19.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.752 0.31 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.06 -28.36 51.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.809 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -37.93 89.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -27.05 66.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.5 mtp -69.69 -45.62 67.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -106.4 34.46 3.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -94.07 -63.06 1.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.48 32.91 4.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -99.13 27.27 5.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.756 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.01 -34.46 5.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.856 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.17 -36.86 5.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.597 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -53.86 -36.8 63.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.092 179.818 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -54.74 -30.17 55.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -109.18 26.2 10.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -141.32 26.1 2.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -102.7 -48.3 4.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 179.957 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.01 24.09 9.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.2 mt -84.02 159.28 60.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.617 0.722 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.341 0.148 0 C-N-CA 122.671 2.247 . . . . 0.0 112.385 179.822 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.727 0.299 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mt 71.11 -69.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.105 179.808 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.77 -50.07 56.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.879 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -52.35 60.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.23 -46.56 94.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.595 HD22 ' CG1' ' A' ' 129' ' ' ILE . 20.5 mt -54.03 -44.78 71.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.742 0.306 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -49.25 70.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.885 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.76 -53.0 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 179.848 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.411 ' HB3' HD13 ' A' ' 176' ' ' LEU . 24.0 m-85 -57.81 -47.4 82.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.978 -179.847 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.457 ' HA ' HD21 ' A' ' 103' ' ' LEU . 43.2 t-80 -54.53 -44.31 72.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.944 179.865 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -65.24 -41.48 94.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.408 ' HB3' HD12 ' A' ' 172' ' ' ILE . 15.5 m-85 -59.92 -63.0 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.874 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 104' ' ' GLU . 1.7 pp -54.27 -43.88 71.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.458 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.5 mm-40 -58.63 -39.67 81.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.565 ' CE1' HG22 ' A' ' 154' ' ' THR . 24.4 t80 -67.38 -44.98 77.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 -179.876 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 37.9 ttp -68.51 -30.93 69.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.06 -25.81 67.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.954 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -60.12 -37.49 80.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -134.01 100.78 4.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.637 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.1 mt -148.37 175.38 11.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -72.42 -176.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.789 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -63.01 -51.12 68.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -73.63 -45.74 51.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.637 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.8 mmtm -55.85 -39.86 72.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.928 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -68.04 -48.98 64.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.88 -48.8 66.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -72.67 -36.59 67.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.95 -45.74 74.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.079 179.713 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -55.65 -49.44 72.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.8 -40.43 85.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.464 HD21 HG12 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -61.37 -50.02 74.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -52.02 67.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 179.896 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 36.4 ttm-85 -53.73 -53.2 55.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.509 ' HA ' HD11 ' A' ' 33' ' ' LEU . 74.4 m-20 -54.07 -45.99 71.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.804 -179.917 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.669 HG22 ' CD1' ' A' ' 129' ' ' ILE . 11.0 m -56.9 -51.17 70.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.169 -179.869 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -63.27 -28.18 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.468 HG22 HD11 ' A' ' 131' ' ' ILE . 21.9 m -71.69 -56.1 6.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.861 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 pp -62.3 -34.54 76.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.931 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.669 ' CD1' HG22 ' A' ' 125' ' ' THR . 79.1 mt -70.32 -47.61 65.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.253 179.738 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -61.6 -40.61 95.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.829 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.468 HD11 HG22 ' A' ' 127' ' ' THR . 24.1 mt -67.04 -52.33 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -61.64 -46.55 89.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -61.56 -41.17 96.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.793 -179.939 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -63.56 -45.55 89.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -60.96 -52.24 65.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.4 m -65.43 -30.81 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -42.8 80.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.904 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -76.59 -30.63 57.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.9 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 28.2 tp . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 -179.993 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.924 0.392 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -50.7 -51.14 52.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.68 -48.88 71.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.5 mt -54.07 -55.62 25.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.91 -63.07 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.565 HG22 ' CE1' ' A' ' 105' ' ' TYR . 61.9 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.2 tp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.96 -26.72 63.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.941 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.76 -26.46 9.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -179.91 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -69.3 -69.69 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.9 m -48.85 -44.59 39.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.217 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.52 -48.32 89.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.185 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -62.07 -29.22 70.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 179.877 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -55.21 8.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.408 HD12 ' HB3' ' A' ' 102' ' ' TYR . 17.9 pt -60.1 -37.47 73.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 179.9 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.502 HD11 ' SD ' ' A' ' 44' ' ' MET . 3.6 mm? -67.74 -54.99 14.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 174' ' ' LYS . . . . . 0.541 ' NZ ' HD11 ' A' ' 67' ' ' LEU . 1.8 ttpm? -57.94 -45.6 86.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.004 179.804 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.4 t -61.23 -46.37 90.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.411 HD13 ' HB3' ' A' ' 99' ' ' TYR . 22.3 tp -56.61 -58.12 9.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -52.73 -51.25 61.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.598 ' O ' HG13 ' A' ' 182' ' ' VAL . 8.1 mt-10 -58.34 -38.51 77.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.417 ' HA ' HG22 ' A' ' 182' ' ' VAL . 38.2 t80 -68.97 -30.04 68.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 55.1 mt -73.22 -46.65 49.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -64.13 -43.88 93.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.808 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 178' ' ' GLU . 21.9 m -68.96 -36.81 75.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.929 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 187' ' ' THR . 21.6 m -72.37 -34.99 68.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.641 ' HG ' HG21 ' A' ' 34' ' ' ILE . 1.7 tm? -73.84 -40.25 63.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -75.22 -32.96 61.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 32.9 t -74.07 -51.55 15.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.771 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 183' ' ' THR . 14.0 t -57.85 -29.79 65.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 -179.943 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.791 -179.938 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.848 0.356 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 60.65 32.97 20.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 -179.848 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.2 p -106.63 175.2 5.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.213 179.936 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.03 -35.33 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.9 m -68.3 -45.02 74.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.823 -179.854 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -61.06 -51.14 70.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.1 m -61.73 -41.18 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.7 -52.42 53.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.416 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.98 -39.32 97.93 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.511 -179.871 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.727 HD21 ' O ' ' A' ' 124' ' ' ASP . 5.1 tt -66.53 -34.81 78.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.84 -179.828 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.034 HG21 HD13 ' A' ' 184' ' ' LEU . 10.1 mm -68.64 -50.68 53.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.078 179.798 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 t -62.86 -37.87 88.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.949 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -66.16 -55.46 16.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.472 HG22 HD11 ' A' ' 41' ' ' ILE . 7.6 p -60.78 -32.57 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 179.965 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.63 ' O ' HG23 ' A' ' 42' ' ' VAL . 7.6 mt -66.6 -48.44 69.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -63.82 -40.11 95.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -64.09 -45.07 90.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.609 HG12 HD21 ' A' ' 121' ' ' LEU . 48.4 mt -62.37 -44.66 99.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.058 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 38' ' ' LEU . 86.4 t -60.62 -50.09 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -66.09 -40.93 91.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.438 ' O ' HD13 ' A' ' 48' ' ' LEU . 4.1 ttp -66.76 -32.23 73.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.816 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -72.75 -50.63 23.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -70.18 -28.89 65.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.22 -38.82 68.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.98 179.911 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.524 HD12 ' HE3' ' A' ' 114' ' ' LYS . 8.8 mp -54.62 -28.59 47.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.76 34.79 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 60.8 28.33 18.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.8 40.97 97.74 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -98.04 105.82 18.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 64.7 p -54.02 -33.46 57.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 -179.901 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -30.97 69.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.41 -32.85 74.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.0 mtp -69.25 -36.8 77.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -111.43 30.01 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.19 -63.86 1.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.84 23.6 13.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -76.07 -26.74 56.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.74 -25.6 55.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.3 pp -115.59 -41.07 3.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.45 -29.03 65.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 179.761 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -62.39 -26.32 68.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.945 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -123.74 30.6 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -133.81 27.04 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.619 HD23 HD21 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -104.28 127.55 51.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.997 179.868 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.69 -33.34 41.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.9 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.619 HD21 HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -63.98 156.44 73.85 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.582 0.706 . . . . 0.0 110.904 179.9 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.251 . . . . 0.0 112.323 179.877 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.7 mttp . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.656 0.265 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.7 mt 72.72 -62.28 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.132 179.871 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -50.36 -49.21 54.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.9 m -54.04 -52.57 60.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.44 -46.73 93.75 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 mp -55.89 -44.96 78.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.903 0.383 . . . . 0.0 110.968 -179.94 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -49.34 75.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.915 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.29 -54.15 47.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.528 ' HB3' HD13 ' A' ' 176' ' ' LEU . 26.0 m-85 -55.8 -47.04 77.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.943 -179.894 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.487 ' HA ' HD21 ' A' ' 103' ' ' LEU . 36.7 t-80 -55.44 -42.78 74.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -31.19 68.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.834 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.781 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.6 m-85 -70.53 -53.39 16.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.487 HD21 ' HA ' ' A' ' 100' ' ' HIS . 1.4 pp -63.17 -44.97 93.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.442 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.1 pp20? -65.6 -31.75 72.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.876 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.752 ' CE1' HG22 ' A' ' 154' ' ' THR . 18.2 t80 -68.78 -52.36 31.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 -179.871 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.666 ' CE ' HD11 ' A' ' 110' ' ' LEU . 18.4 ptm -72.33 -25.89 61.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.804 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -36.69 78.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -38.08 81.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -118.11 92.41 3.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.668 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.1 mt -149.02 178.05 9.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.83 -176.0 3.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.85 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.03 -51.29 67.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.819 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -72.36 -46.87 53.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.911 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.668 ' CB ' HD22 ' A' ' 110' ' ' LEU . 20.7 mmtm -55.71 -38.27 69.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -48.33 64.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 179.914 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.0 -48.22 70.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.847 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -72.38 -37.93 68.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.78 -45.79 74.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.811 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -55.75 -45.79 77.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.7 t -66.41 -33.16 61.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.609 HD21 HG12 ' A' ' 41' ' ' ILE . 1.2 tp -66.57 -51.08 60.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.968 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -63.86 -41.15 97.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -60.99 -53.32 58.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.831 -179.94 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.727 ' O ' HD21 ' A' ' 33' ' ' LEU . 13.6 m-20 -56.76 -54.96 40.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.9 m -54.53 -47.16 73.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.926 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -54.45 -47.56 72.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.456 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.7 OUTLIER -63.37 -45.26 92.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.213 -179.979 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.622 ' O ' HD12 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -63.65 -35.21 79.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.912 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 74.7 mt -71.27 -39.75 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -46.53 78.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.883 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 127' ' ' THR . 8.8 mt -64.28 -49.17 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.96 -47.73 85.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.782 -179.925 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -59.49 -41.02 88.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -63.19 -48.77 76.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.433 ' O ' HD23 ' A' ' 139' ' ' LEU . 6.5 mt-10 -57.51 -52.48 65.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.96 -30.22 49.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.24 179.857 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -69.2 -36.3 77.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.891 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -88.09 -20.38 25.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 135' ' ' GLU . 2.5 mm? . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.859 0.361 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 150' ' ' ASN . . . . . 0.532 ' O ' HG23 ' A' ' 154' ' ' THR . 23.0 t30 -50.99 -43.78 60.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -59.58 -54.49 45.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 11.1 mp -51.54 -55.51 18.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.472 HD11 HG21 ' A' ' 168' ' ' THR . 3.5 mm? -52.64 -62.79 1.42 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.886 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.752 HG22 ' CE1' ' A' ' 105' ' ' TYR . 65.4 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.878 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.813 0.34 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.93 -27.77 33.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 166' ' ' THR . . . . . 0.458 HG23 HD23 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -52.43 -27.22 15.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 -179.959 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -70.12 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.949 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 168' ' ' THR . . . . . 0.472 HG21 HD11 ' A' ' 153' ' ' LEU . 94.2 m -49.12 -44.19 42.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.083 -179.929 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.71 -46.06 97.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -59.73 -35.87 75.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.01 -55.37 11.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.781 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.9 pt -61.63 -35.76 69.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 14.9 mt -66.56 -50.75 62.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -58.71 -47.71 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.433 ' CB ' HD11 ' A' ' 69' ' ' LEU . 53.1 m -59.49 -46.21 89.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.938 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.528 HD13 ' HB3' ' A' ' 99' ' ' TYR . 14.7 tp -56.42 -54.16 48.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.73 -54.96 30.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.952 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.582 ' O ' HG23 ' A' ' 182' ' ' VAL . 8.6 mt-10 -56.75 -43.99 81.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.905 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -60.71 -34.46 74.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 17.4 mt -69.29 -59.86 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.992 179.932 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -51.29 -41.53 60.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.816 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 178' ' ' GLU . 78.6 t -66.3 -50.08 70.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 56.1 m -51.13 -45.91 61.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 1.034 HD13 HG21 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -67.91 -45.92 73.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.845 179.964 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -57.57 -28.38 63.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.6 -50.78 8.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.816 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.59 HG22 ' HA ' ' A' ' 184' ' ' LEU . 7.3 t -66.49 -16.0 63.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -179.921 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.446 ' HB ' HG22 ' A' ' 26' ' ' THR . 35.7 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.803 0.335 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 63.7 22.95 13.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.965 -179.865 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.547 HG23 ' H ' ' A' ' 29' ' ' GLN . 4.4 t -87.59 159.29 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -51.5 -47.77 63.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.3 -51.45 54.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.802 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.547 ' H ' HG23 ' A' ' 26' ' ' THR . 0.5 OUTLIER -59.75 -38.16 81.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 -179.963 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.73 -54.26 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.688 ' O ' HG23 ' A' ' 35' ' ' THR . . . -57.06 -52.86 48.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.525 179.917 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.77 -41.51 93.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.539 -179.898 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.678 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.0 OUTLIER -62.67 -46.7 86.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 110.835 -179.908 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.596 ' N ' HD23 ' A' ' 33' ' ' LEU . 27.2 mm -57.67 -41.96 80.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 31' ' ' GLY . 19.9 p -65.83 -42.21 90.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -59.32 -55.68 31.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.794 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.462 HG22 ' CD1' ' A' ' 41' ' ' ILE . 5.9 p -60.06 -39.56 80.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.5 mp -56.63 -48.97 76.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -67.92 -37.07 81.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -43.5 95.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.775 HG23 HD12 ' A' ' 173' ' ' LEU . 70.2 mt -66.39 -46.67 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.168 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 38' ' ' LEU . 95.4 t -59.41 -43.02 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.835 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.86 -43.31 65.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.3 ttt -65.42 -31.55 72.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.08 -51.11 12.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -67.75 -28.74 67.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.96 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.82 -34.19 65.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.431 HD23 ' HE2' ' A' ' 114' ' ' LYS . 27.2 mt -55.94 -33.77 65.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.6 m -96.54 32.43 2.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 56.45 32.16 20.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.801 179.987 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.45 38.44 96.32 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.394 179.94 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -90.08 113.84 25.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.3 m -58.78 -26.78 64.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -66.46 -36.2 82.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -33.94 77.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 19.2 mtp -61.04 -31.26 70.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.761 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -116.23 26.71 9.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -91.65 -62.0 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.915 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.15 26.31 10.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.869 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -97.83 27.67 4.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.91 -27.92 7.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.09 -32.64 7.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.91 -43.15 66.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -63.28 -26.12 68.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -108.1 26.51 10.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -142.64 26.23 1.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -104.81 155.13 19.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 179.852 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.39 17.42 2.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 179.834 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.526 HD23 ' HE1' ' A' ' 99' ' ' TYR . 8.8 mp -84.03 160.32 58.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.553 0.692 . . . . 0.0 110.959 179.931 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 N--CA 1.465 -0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.397 179.851 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.661 0.267 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.492 HG23 ' HZ ' ' A' ' 179' ' ' PHE . 7.8 mt 73.62 -60.19 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 179.868 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 p -49.8 -44.06 48.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 99.8 p -60.53 -52.61 64.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.7 -51.5 58.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.429 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.415 HD23 HG12 ' A' ' 129' ' ' ILE . 0.8 OUTLIER -52.5 -48.89 65.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 -179.817 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -58.1 -49.43 76.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -53.34 -49.81 66.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.526 ' HE1' HD23 ' A' ' 69' ' ' LEU . 12.4 m-85 -57.55 -48.33 79.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.851 -179.758 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.515 ' HA ' HD21 ' A' ' 103' ' ' LEU . 31.6 t-80 -54.23 -42.18 69.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.87 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.84 -32.4 69.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.846 -179.753 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.571 ' HB3' HD12 ' A' ' 172' ' ' ILE . 20.5 m-85 -70.58 -51.48 28.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.82 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.675 HD21 HG21 ' A' ' 125' ' ' THR . 1.7 pp -64.86 -45.34 86.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.49 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.1 pp20? -64.78 -32.07 73.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.708 ' CE1' HG22 ' A' ' 154' ' ' THR . 2.6 t80 -70.52 -46.89 62.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.827 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.87 ' HE2' HD11 ' A' ' 110' ' ' LEU . 6.6 ttt -72.4 -29.81 64.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.803 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -61.96 -33.76 74.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -30.88 69.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -132.58 95.23 3.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.87 HD11 ' HE2' ' A' ' 106' ' ' MET . 5.8 mt -149.05 178.01 9.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -75.11 -176.01 2.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.993 179.778 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.18 -51.28 67.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 179.865 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -73.7 -45.98 49.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.602 ' CB ' HD22 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -55.62 -37.61 68.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.917 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -51.78 40.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.908 179.835 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.07 -47.29 65.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.4 -37.97 68.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.11 -43.77 74.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -55.58 -50.2 70.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.55 -45.25 97.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.951 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -50.92 67.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.465 ' HA ' HD13 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -64.97 -28.94 69.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.837 179.974 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 58.2 ttm-85 -64.17 -54.64 30.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -64.84 -39.63 93.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.675 HG21 HD21 ' A' ' 103' ' ' LEU . 30.3 m -58.08 -48.88 78.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 -179.883 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -64.83 -40.0 94.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.2 m -63.67 -53.23 54.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -179.883 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.678 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -62.57 -33.71 75.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.894 179.984 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.415 HG12 HD23 ' A' ' 96' ' ' LEU . 20.6 mt -69.44 -37.12 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 179.774 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -70.94 -40.96 71.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.775 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 59.0 mt -66.32 -50.49 67.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -63.84 -50.1 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -58.83 -39.89 82.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -63.21 -50.67 69.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.09 -52.18 66.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.4 p -65.51 -27.78 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.189 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -42.76 76.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -73.73 -38.6 64.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.842 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.905 0.383 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -51.08 -49.99 59.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.33 -46.57 69.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 15.6 mt -59.38 -47.53 85.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.407 HD23 ' CD2' ' A' ' 105' ' ' TYR . 0.9 OUTLIER -56.22 -63.22 1.26 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.845 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.708 HG22 ' CE1' ' A' ' 105' ' ' TYR . 72.7 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.76 0.314 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -28.52 68.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 179.933 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.5 -26.9 5.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.127 -179.866 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -68.85 -69.01 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.848 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 94.9 m -48.49 -46.58 38.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.134 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 36.9 mm -60.4 -46.47 95.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -62.93 -30.09 71.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -70.47 -53.14 17.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 -179.904 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.571 HD12 ' HB3' ' A' ' 102' ' ' TYR . 23.2 pt -63.12 -37.99 80.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.202 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.775 HD12 HG23 ' A' ' 41' ' ' ILE . 3.3 mm? -69.92 -57.88 4.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.869 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -31.16 65.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.007 179.809 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 88.5 p -73.34 -46.89 46.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.799 -179.832 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.8 tp -58.69 -47.43 84.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 177' ' ' GLU . . . . . 0.533 ' HB2' HG21 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -65.5 -52.8 50.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.902 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.428 ' O ' HG23 ' A' ' 182' ' ' VAL . 33.6 mm-40 -54.91 -50.08 69.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.492 ' HZ ' HG23 ' A' ' 92' ' ' ILE . 65.8 t80 -68.02 -29.26 68.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.58 ' HB3' HD11 ' A' ' 38' ' ' LEU . 6.0 mt -63.27 -61.18 2.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 181' ' ' LYS . . . . . 0.408 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -61.4 -40.94 96.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.79 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 178' ' ' GLU . 39.6 t -63.14 -43.5 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.864 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 31.6 m -65.84 -41.7 91.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 -179.979 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.534 ' O ' HD13 ' A' ' 184' ' ' LEU . 2.0 tm? -63.58 -44.86 92.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -66.87 -39.03 87.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.823 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.53 -51.85 65.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.077 0.465 . . . . 0.0 110.899 -179.832 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 15.2 t -65.73 -24.96 67.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.2 -179.925 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.963 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.431 ' HB ' HG22 ' A' ' 26' ' ' THR . 58.7 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.782 0.325 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 63.11 16.93 9.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.565 ' O ' HG23 ' A' ' 30' ' ' VAL . 9.6 t -91.45 168.85 11.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -50.5 -45.12 56.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.72 -51.36 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.838 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -61.61 -35.04 76.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 26' ' ' THR . 98.5 t -63.97 -54.16 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.72 ' O ' HG23 ' A' ' 35' ' ' THR . . . -60.2 -51.94 55.75 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.949 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.5 -40.15 95.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.378 -179.898 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.691 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.4 OUTLIER -64.49 -45.15 88.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.744 0.307 . . . . 0.0 110.901 -179.902 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.612 ' CD1' HD23 ' A' ' 184' ' ' LEU . 96.8 mt -61.58 -40.95 88.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.032 179.91 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.72 HG23 ' O ' ' A' ' 31' ' ' GLY . 34.7 p -64.78 -45.18 87.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.188 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -60.84 -55.37 33.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.647 HG22 HD11 ' A' ' 41' ' ' ILE . 14.7 p -59.63 -35.54 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 42' ' ' VAL . 10.6 mt -62.06 -48.5 79.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -63.19 -43.15 99.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.39 -42.87 96.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.647 HD11 HG22 ' A' ' 37' ' ' VAL . 22.9 mt -63.98 -46.77 93.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 179.886 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 38' ' ' LEU . 85.9 t -57.34 -47.56 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.839 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.52 -40.54 95.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.409 ' SD ' HD22 ' A' ' 121' ' ' LEU . 13.1 ttt -67.56 -35.18 78.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.959 179.891 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.63 -51.15 45.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.3 -28.7 66.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.869 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -53.88 -37.3 63.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.8 mp -54.55 -37.05 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 54.1 m -95.25 38.13 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t30 56.18 29.85 15.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 59.3 40.97 96.61 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -100.9 115.06 29.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.804 0.335 . . . . 0.0 110.829 -179.848 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.1 p -54.45 -28.71 46.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -26.67 55.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.799 -179.98 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.02 -26.94 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.816 -179.841 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.5 mmm -72.46 -31.03 65.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -112.48 30.54 7.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -96.21 -74.16 0.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.96 28.7 4.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -99.15 26.35 5.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.78 -30.86 4.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 -179.994 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.76 -32.96 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.968 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.79 -37.36 71.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.012 179.818 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -54.55 -29.19 50.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.801 -179.874 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -117.37 36.47 4.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -152.34 28.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.19 134.19 44.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.4 -26.78 26.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.828 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.21 160.63 47.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.647 0.737 . . . . 0.0 110.883 179.886 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.21 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.856 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.757 0.313 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.9 mt -113.79 -26.9 2.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.191 179.808 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 p -71.06 -46.59 61.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.78 -52.46 60.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.812 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.0 -47.62 88.82 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.514 179.958 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 mp -57.43 -50.99 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.955 -179.89 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -49.24 76.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.828 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -49.97 70.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -55.64 -51.7 66.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.497 ' HA ' HD21 ' A' ' 103' ' ' LEU . 59.6 t-80 -54.28 -44.52 71.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.3 p -63.48 -37.65 88.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.414 ' HD1' HD22 ' A' ' 153' ' ' LEU . 18.6 m-85 -66.0 -64.3 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.927 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.497 HD21 ' HA ' ' A' ' 100' ' ' HIS . 1.1 pp -51.0 -47.17 61.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.456 ' N ' HD12 ' A' ' 103' ' ' LEU . 29.6 tt0 -57.54 -51.15 70.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.9 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.691 ' CD2' HD23 ' A' ' 153' ' ' LEU . 2.2 t80 -57.5 -34.91 69.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.964 -179.868 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.48 ' HG2' HD11 ' A' ' 110' ' ' LEU . 1.3 ttt -74.37 -41.94 60.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.831 179.942 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.532 ' HB2' ' HB1' ' A' ' 118' ' ' ALA . 6.4 tptm -64.64 -25.82 68.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -20.57 56.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -154.71 79.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.969 179.961 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 114' ' ' LYS . 5.0 mt -127.65 178.17 6.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -68.91 -175.93 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.834 179.897 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -64.07 -51.15 65.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.781 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -75.54 -46.34 32.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.631 ' HB3' HD13 ' A' ' 110' ' ' LEU . 20.1 mmtm -55.81 -29.15 59.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.844 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -69.89 -45.42 67.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.844 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.583 ' O ' HG23 ' A' ' 120' ' ' VAL . 0.1 OUTLIER -66.86 -36.6 82.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.957 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.68 -48.19 23.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 179.955 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.532 ' HB1' ' HB2' ' A' ' 107' ' ' LYS . . . -58.24 -48.55 80.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.797 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -53.69 -50.17 66.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 116' ' ' ASP . 95.8 t -59.33 -44.74 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 -179.958 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.409 HD22 ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -58.3 -43.91 88.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.965 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.453 ' HA ' HD13 ' A' ' 103' ' ' LEU . 1.5 tt0 -61.17 -50.02 74.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -52.82 59.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.3 -50.34 69.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.599 ' HA ' HD23 ' A' ' 128' ' ' LEU . 7.5 m -56.55 -50.43 71.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.932 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -54.79 -38.87 67.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.441 ' HB ' HD11 ' A' ' 33' ' ' LEU . 2.5 m -64.76 -54.41 31.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 -179.902 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.691 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -59.87 -31.22 69.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.887 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 74.6 mt -72.99 -40.21 58.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.073 179.906 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -65.54 -45.49 83.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.6 mt -66.94 -45.95 86.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.537 ' O ' HG23 ' A' ' 136' ' ' VAL . 4.8 m-85 -65.62 -44.87 85.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.976 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -61.56 -42.82 99.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.773 -179.878 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.39 -54.37 37.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -55.46 -52.18 64.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 132' ' ' PHE . 91.9 t -61.05 -47.42 93.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -51.79 -46.16 64.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.93 179.895 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.68 -23.82 49.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 179.926 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.5 tp . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.987 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.96 0.41 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -51.5 -48.9 62.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.74 -50.63 65.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.794 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 11.0 mp -56.51 -47.52 79.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.691 HD23 ' CD2' ' A' ' 105' ' ' TYR . 0.5 OUTLIER -55.74 -63.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.896 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 36.7 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.936 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.822 0.344 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -27.85 69.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.774 -179.951 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.9 -26.41 5.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -179.86 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -69.44 -69.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.95 179.76 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 168' ' ' THR . . . . . 0.682 HG21 HD11 ' A' ' 153' ' ' LEU . 96.7 m -48.59 -44.82 37.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.162 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.3 mm -63.03 -46.32 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -62.77 -32.06 73.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 179.924 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -55.16 10.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.945 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 20.3 pt -60.23 -36.02 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.34 -53.47 29.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.95 179.882 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -57.68 -46.27 84.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 179.813 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.75 -48.77 80.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.866 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 21.5 tp -54.74 -57.68 10.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -52.18 -54.4 31.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.918 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.45 -32.62 67.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -72.66 -32.26 65.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.48 HD23 HG13 ' A' ' 37' ' ' VAL . 1.8 mp -72.71 -52.42 15.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -44.19 97.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.831 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.28 -36.76 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.064 179.964 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 16.0 m -72.13 -29.58 64.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.612 HD23 ' CD1' ' A' ' 34' ' ' ILE . 2.7 tm? -76.04 -40.33 53.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.0 179.905 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -25.25 42.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 17.3 m -81.98 -48.58 11.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.6 t -56.56 -24.78 49.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -179.958 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.913 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.541 ' HB ' HG22 ' A' ' 26' ' ' THR . 21.8 t . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.776 0.322 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 59.48 24.64 13.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.59 ' O ' HG23 ' A' ' 30' ' ' VAL . 15.2 t -109.73 172.77 6.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 179.944 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.1 p -50.84 -43.86 59.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.01 -51.76 68.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.806 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -61.9 -40.81 96.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 26' ' ' THR . 96.4 t -62.29 -54.29 36.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.049 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.719 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.09 -52.18 50.9 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.4 -43.54 95.71 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.885 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.452 HD11 ' HB ' ' A' ' 127' ' ' THR . 1.3 tt -63.82 -49.41 72.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.342 . . . . 0.0 110.985 -179.938 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.546 ' O ' HD23 ' A' ' 38' ' ' LEU . 19.4 mm -54.14 -44.29 63.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.157 179.778 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 31' ' ' GLY . 31.7 p -64.88 -43.09 94.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.241 179.912 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -58.56 -55.5 34.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.917 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.732 HG22 HD11 ' A' ' 41' ' ' ILE . 7.5 p -60.67 -36.7 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.11 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.1 mm? -59.14 -48.25 82.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.2 t90 -66.03 -41.23 91.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -62.02 -41.52 98.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.732 HD11 HG22 ' A' ' 37' ' ' VAL . 30.3 mt -66.56 -48.84 79.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 38' ' ' LEU . 89.9 t -56.89 -46.66 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.902 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -42.31 86.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -31.8 72.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.13 -51.17 18.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.946 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.428 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -69.29 -28.88 66.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.976 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -59.01 -34.82 72.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.0 mt -55.06 -30.88 60.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.0 m -98.72 30.25 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 63.25 31.53 15.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.83 43.43 91.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 179.93 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -97.05 108.8 21.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 95.4 p -58.55 -26.3 63.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.55 -32.75 72.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 179.837 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.7 -27.91 66.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.0 mtp -59.31 -35.39 73.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -122.93 27.48 7.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -89.09 -51.58 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.49 23.71 13.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.922 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -99.24 25.85 6.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.51 -41.71 5.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.953 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.2 -32.1 14.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.23 -31.58 32.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.742 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -53.44 -30.3 39.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.962 -179.949 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -121.5 25.98 9.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -145.5 26.93 1.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.761 HD11 ' HE3' ' A' ' 174' ' ' LYS . 0.4 OUTLIER -101.91 -61.11 1.43 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.963 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 58.63 21.9 9.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 179.832 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.642 HD12 ' CD2' ' A' ' 67' ' ' LEU . 24.6 mt -84.15 158.45 61.25 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.622 0.725 . . . . 0.0 110.932 179.92 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo . . . . . 0 C--N 1.342 0.203 0 C-N-CA 122.657 2.238 . . . . 0.0 112.421 179.792 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.5 mttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.725 0.298 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.2 mt 70.98 -69.04 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.413 ' O ' HD23 ' A' ' 97' ' ' LEU . 7.2 t -50.92 -46.44 60.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.04 -52.57 64.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.857 -179.809 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.04 -51.2 60.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.442 -179.937 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.764 HD12 HD11 ' A' ' 129' ' ' ILE . 2.9 mm? -54.13 -50.98 65.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.897 0.38 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 93' ' ' SER . 2.7 mm? -55.33 -49.54 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.95 179.822 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -56.84 17.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.684 ' HB3' HD13 ' A' ' 176' ' ' LEU . 24.7 m-85 -53.98 -42.91 69.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.804 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.406 ' HA ' HD21 ' A' ' 103' ' ' LEU . 43.8 t-80 -58.26 -47.87 82.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.4 p -63.35 -34.81 78.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.468 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.7 m-85 -65.94 -64.65 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' A' ' 100' ' ' HIS . 1.3 pp -52.27 -40.25 61.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -62.08 -49.02 77.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.773 ' CE1' HG22 ' A' ' 154' ' ' THR . 7.5 t80 -57.41 -45.02 85.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 -179.822 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.438 ' HG2' HD11 ' A' ' 110' ' ' LEU . 33.8 ttp -72.33 -26.21 61.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.922 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -29.81 64.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.922 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -59.6 -23.91 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -144.29 95.88 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.688 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.1 mt -149.06 177.54 9.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -72.14 -176.13 1.69 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.99 -51.23 65.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.831 179.918 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -70.62 -47.81 58.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.822 -179.882 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.688 ' CB ' HD22 ' A' ' 110' ' ' LEU . 1.3 mmmp? -55.68 -39.57 71.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -67.58 -43.64 80.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.91 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -57.69 -49.36 76.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -71.32 -40.65 70.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.63 -44.36 73.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 179.827 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.19 -49.58 73.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.47 ' HA ' ' CG ' ' A' ' 123' ' ' ARG . 70.6 t -63.36 -32.36 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.607 HD21 HG12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -68.67 -43.81 75.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.963 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -66.13 -53.64 35.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.47 ' CG ' ' HA ' ' A' ' 120' ' ' VAL . 0.8 OUTLIER -57.35 -45.45 84.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.934 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -58.63 -51.11 71.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.678 HG22 ' CD1' ' A' ' 129' ' ' ILE . 24.4 m -57.93 -45.95 85.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -61.22 -36.64 80.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.476 ' O ' HD12 ' A' ' 131' ' ' ILE . 22.4 m -65.95 -56.18 13.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.08 -32.02 70.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.764 HD11 HD12 ' A' ' 96' ' ' LEU . 64.1 mt -72.59 -38.2 58.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.83 -41.82 78.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.863 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.476 HD12 ' O ' ' A' ' 127' ' ' THR . 6.3 mt -70.17 -44.15 78.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 -179.947 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.534 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.2 m-85 -67.48 -43.98 79.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.986 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -64.99 -44.05 90.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -62.83 -51.44 67.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.03 -51.98 67.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 132' ' ' PHE . 98.0 t -63.72 -32.65 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -69.2 -35.04 75.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -74.9 -48.89 22.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.965 -179.951 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.028 0.442 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -51.11 -47.94 61.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.29 -53.07 61.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.022 179.904 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.8 mp -51.91 -54.46 29.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.81 -63.76 1.04 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.875 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.773 HG22 ' CE1' ' A' ' 105' ' ' TYR . 51.6 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 179.865 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -29.95 22.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.824 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.45 -26.9 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.099 -179.889 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -69.3 -68.82 0.38 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.9 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.3 m -48.34 -44.27 34.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.2 mm -63.49 -45.4 97.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.17 179.921 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -63.33 -30.65 71.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.845 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -71.5 -55.39 7.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.468 HD12 ' HB3' ' A' ' 102' ' ' TYR . 13.3 pt -59.11 -39.25 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.141 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.94 -48.58 65.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 179.837 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 174' ' ' LYS . . . . . 0.761 ' HE3' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -57.34 -52.11 66.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.872 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.26 -44.06 97.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.783 -179.921 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.684 HD13 ' HB3' ' A' ' 99' ' ' TYR . 16.5 tp -54.38 -51.19 65.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -56.08 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -52.67 -38.93 61.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -64.74 -50.88 65.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 97.8 mt -57.12 -37.11 71.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 181' ' ' LYS . . . . . 0.576 ' HG3' HD11 ' A' ' 38' ' ' LEU . 11.3 mtpp -67.55 -62.27 1.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 179.741 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 13.6 p -54.19 -31.66 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.859 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 76.5 m -71.15 -47.93 54.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.132 -179.94 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.514 ' O ' HD13 ' A' ' 184' ' ' LEU . 1.2 tm? -59.25 -45.69 90.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.983 179.903 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -37.46 74.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.8 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 26.4 t -59.35 -51.47 69.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -179.739 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.0 t -65.04 -25.96 68.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 -179.865 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.995 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.817 HG23 HG22 ' A' ' 26' ' ' THR . 4.9 m . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.89 0.376 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 63.81 54.18 1.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.817 HG22 HG23 ' A' ' 24' ' ' VAL . 7.5 t -121.07 165.16 15.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.97 -34.06 19.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 -179.912 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.07 -48.01 63.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.855 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.51 ' H ' HG23 ' A' ' 26' ' ' THR . 0.8 OUTLIER -58.4 -51.41 69.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.868 -179.984 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 31' ' ' GLY . 19.3 m -61.34 -44.04 97.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.435 ' N ' HG23 ' A' ' 30' ' ' VAL . . . -55.98 -52.59 48.0 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.525 179.93 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.31 -38.62 96.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.929 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.687 HD21 ' O ' ' A' ' 124' ' ' ASP . 2.4 tt -66.83 -38.87 87.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.71 0.29 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.56 ' O ' HD23 ' A' ' 38' ' ' LEU . 17.1 mm -64.52 -54.71 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.054 0.454 . . . . 0.0 111.189 179.871 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 31' ' ' GLY . 5.2 t -59.65 -40.58 88.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.969 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -64.86 -55.15 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.86 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -31.75 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.159 179.984 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.639 ' O ' HG23 ' A' ' 42' ' ' VAL . 2.1 mm? -67.95 -48.8 64.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -62.24 -41.35 98.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.011 179.889 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.45 ' HB3' HD11 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -63.29 -50.53 69.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.978 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.7 mt -56.29 -44.86 80.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 38' ' ' LEU . 89.8 t -60.07 -53.2 51.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.833 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -57.93 -48.72 79.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -31.64 72.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.647 ' HA ' HD13 ' A' ' 173' ' ' LEU . 15.9 ttp180 -67.1 -51.35 55.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -72.36 -28.15 62.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.32 -34.72 61.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.464 HD21 HG21 ' A' ' 169' ' ' ILE . 8.3 mp -64.07 -26.38 68.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.2 m -95.91 28.06 3.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 179.988 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 t30 61.99 28.35 17.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.93 35.92 92.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.433 179.972 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -87.41 110.49 20.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.1 -26.65 39.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.861 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -68.85 -46.18 69.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.786 179.998 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.02 -35.72 47.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.7 mtp -54.26 -31.94 54.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -130.98 32.45 4.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -80.48 -60.7 2.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.81 23.4 13.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -83.33 -27.03 30.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.33 -25.36 61.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.77 -39.35 4.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.579 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -58.55 -34.32 70.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.044 179.796 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -54.95 -29.55 56.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -122.11 29.8 6.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -143.32 26.05 1.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -89.35 137.87 31.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.974 179.983 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.47 -25.97 18.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.485 HD23 ' HE1' ' A' ' 99' ' ' TYR . 9.4 mp -64.08 160.63 46.41 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.58 0.705 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.172 0 C-N-CA 122.633 2.222 . . . . 0.0 112.354 179.861 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.776 0.322 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.6 mt 70.86 -70.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.142 179.866 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.2 m -53.28 -49.6 66.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.91 -52.62 59.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.82 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.67 -47.92 85.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 179.958 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.406 HD23 HG12 ' A' ' 129' ' ' ILE . 4.6 mp -55.03 -46.09 75.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.927 -179.94 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -49.4 75.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.995 179.859 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.5 -50.87 72.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.808 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.544 ' HB3' HD13 ' A' ' 176' ' ' LEU . 18.2 m-85 -55.65 -51.91 65.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.844 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.483 ' HA ' HD21 ' A' ' 103' ' ' LEU . 31.1 t-80 -54.21 -44.9 72.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.791 -179.986 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -39.27 92.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.841 -179.759 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.41 ' HB3' HD12 ' A' ' 172' ' ' ILE . 20.0 m-85 -64.35 -63.86 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.935 -179.902 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.516 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.5 pp -51.79 -39.34 58.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.516 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -66.57 -39.35 88.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.796 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -67.08 -43.29 82.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.971 -179.881 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.691 ' HE2' HD11 ' A' ' 110' ' ' LEU . 8.7 ttt -74.61 -29.25 61.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.896 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -31.02 69.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -64.32 -37.0 85.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.58 93.74 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.691 HD11 ' HE2' ' A' ' 106' ' ' MET . 8.6 mt -148.99 170.67 17.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -70.82 -176.25 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.28 -51.07 69.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.36 -45.11 41.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.679 ' HB3' HD22 ' A' ' 110' ' ' LEU . 12.8 mmtm -55.94 -37.08 68.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.881 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -67.57 -49.48 63.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 179.82 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.23 -48.3 74.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.924 179.845 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.5 mmpp? -70.0 -39.92 75.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.94 -45.72 74.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.833 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.6 ttp85 -55.45 -50.08 70.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.05 -41.09 85.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.45 HD11 ' HB3' ' A' ' 40' ' ' GLU . 0.6 OUTLIER -60.61 -46.73 89.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.931 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.97 -50.82 71.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -53.58 50.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.798 -179.894 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.687 ' O ' HD21 ' A' ' 33' ' ' LEU . 34.1 m-20 -54.0 -53.08 57.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.853 179.987 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.456 HG22 ' CD1' ' A' ' 129' ' ' ILE . 8.9 m -53.43 -47.5 69.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.903 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -62.81 -29.88 71.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.503 ' O ' HD12 ' A' ' 131' ' ' ILE . 8.8 m -69.62 -56.62 6.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 -179.852 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.3 pp -60.9 -34.84 75.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.456 ' CD1' HG22 ' A' ' 125' ' ' THR . 73.7 mt -69.35 -45.16 79.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.911 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -60.7 -47.8 84.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.503 HD12 ' O ' ' A' ' 127' ' ' THR . 7.2 mt -62.64 -52.64 57.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 -179.921 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.93 -47.95 83.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.819 -179.975 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -57.64 -41.26 81.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -63.05 -49.56 74.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -57.38 -52.15 66.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.957 -179.942 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.1 p -65.69 -29.21 46.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.906 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.32 -37.79 77.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.51 -47.83 25.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.862 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.6 tt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.999 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.651 ' O ' HD12 ' A' ' 153' ' ' LEU . 0.7 OUTLIER . . . . . 0 CA--C 1.526 0.032 0 CA-C-O 120.827 0.346 . . . . 0.0 110.821 . . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -50.55 -34.61 26.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -65.97 -46.57 77.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.73 -50.89 70.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.651 HD12 ' O ' ' A' ' 149' ' ' SER . 1.0 OUTLIER -57.87 -58.04 10.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 179.888 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.969 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.745 0.307 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -80.58 -27.13 37.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -26.9 12.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 -179.962 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -69.34 -70.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 95.1 m -49.15 -45.45 43.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.464 HG21 HD21 ' A' ' 48' ' ' LEU . 1.7 mp -61.21 -46.52 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.919 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -62.08 -31.46 71.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -70.37 -55.26 9.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.426 HG22 HD21 ' A' ' 69' ' ' LEU . 20.0 pt -59.63 -36.05 63.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.18 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 45' ' ' ARG . 11.8 mt -67.61 -56.15 10.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 179.898 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -60.45 -47.63 85.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 179.812 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 3.0 t -59.1 -45.38 91.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.544 HD13 ' HB3' ' A' ' 99' ' ' TYR . 19.7 tp -58.41 -55.07 39.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.008 179.86 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 177' ' ' GLU . . . . . 0.533 ' CD ' HG22 ' A' ' 42' ' ' VAL . 7.6 tt0 -52.98 -56.92 12.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.822 179.948 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.563 ' O ' HG23 ' A' ' 182' ' ' VAL . 4.2 mm-40 -55.0 -49.12 72.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.847 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -54.63 -44.98 73.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.68 -48.59 81.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 -179.911 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -55.17 -49.83 70.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 179.814 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 178' ' ' GLU . 39.2 t -58.52 -47.4 88.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.153 179.878 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 27.5 m -56.62 -43.64 80.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.447 ' HG ' HG21 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -62.71 -51.29 67.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.996 179.905 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -61.22 -33.62 73.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 28.4 t -67.1 -51.15 57.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.774 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 184' ' ' LEU . 10.4 t -67.07 -23.88 65.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.096 -179.916 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.92 179.933 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 24' ' ' VAL . 13.8 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.887 0.375 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 63.96 26.9 14.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 -179.903 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.0 p -93.66 170.41 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 -179.925 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 p -51.46 -44.31 62.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 179.946 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -53.84 -51.62 63.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.76 -179.831 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -60.89 -37.8 83.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.854 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.9 t -65.93 -50.17 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.234 179.86 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.426 ' O ' HG23 ' A' ' 35' ' ' THR . . . -58.58 -51.77 56.89 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.926 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.98 -39.7 97.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.488 -179.918 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.65 -52.64 42.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.774 0.321 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.575 ' CD1' HD23 ' A' ' 184' ' ' LEU . 46.7 mt -56.07 -43.24 74.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.882 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 31' ' ' GLY . 32.5 p -63.69 -44.43 93.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.219 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -58.11 -55.16 38.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.779 179.895 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.704 HG22 HD11 ' A' ' 41' ' ' ILE . 7.5 p -60.72 -35.41 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 179.967 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.653 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -59.74 -48.24 82.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 179.935 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -66.87 -41.44 87.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.854 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -60.17 -43.88 95.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.704 HD11 HG22 ' A' ' 37' ' ' VAL . 30.9 mt -66.46 -49.25 76.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.259 179.865 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.659 HG22 ' OE1' ' A' ' 177' ' ' GLU . 96.4 t -55.7 -42.83 71.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 179.791 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -68.57 -44.31 74.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.486 ' SD ' HD11 ' A' ' 173' ' ' LEU . 0.9 OUTLIER -64.78 -32.05 73.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.955 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -73.78 -51.23 17.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.899 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -28.7 67.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -64.1 -39.34 93.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.618 HD21 HG21 ' A' ' 169' ' ' ILE . 1.1 mp -53.72 -28.24 32.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.4 35.91 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 t30 57.39 30.37 18.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.64 45.17 96.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 179.963 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -91.81 110.8 22.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.36 . . . . 0.0 110.924 -179.891 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.7 p -57.3 -29.8 64.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -72.84 -37.56 67.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.816 -179.968 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.8 t -56.4 -26.45 53.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 21.0 mtp -62.82 -43.7 98.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -116.48 35.13 4.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -86.57 -69.18 0.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.29 27.13 7.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 179.964 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -80.09 -26.14 39.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.36 -65.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.102 179.9 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.75 -42.97 94.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.455 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -53.22 -39.51 63.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 179.731 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -68.05 -29.31 68.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -105.78 32.14 4.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -148.6 26.09 0.94 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.523 HD11 ' HD2' ' A' ' 174' ' ' LYS . 0.2 OUTLIER -93.67 133.45 37.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 179.953 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -75.73 -22.83 56.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.863 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.8 154.66 78.22 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.577 0.703 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.145 0 C-N-CA 122.731 2.287 . . . . 0.0 112.353 179.838 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.801 0.334 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.499 HG23 ' CE2' ' A' ' 179' ' ' PHE . 33.8 mt -119.28 -32.33 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 179.912 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.0 p -61.52 -37.9 85.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.7 m -61.41 -52.18 65.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.78 -51.23 60.25 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.779 HD12 HD11 ' A' ' 129' ' ' ILE . 0.9 OUTLIER -56.66 -49.84 73.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.943 0.401 . . . . 0.0 110.879 -179.907 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 21.2 mt -54.67 -49.39 70.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -48.48 75.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -58.3 -43.62 88.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.845 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -58.92 -46.27 88.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.906 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.9 m -63.91 -39.34 93.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.44 ' HB3' HD12 ' A' ' 172' ' ' ILE . 17.8 m-85 -62.57 -63.96 1.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.86 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.512 HD12 ' N ' ' A' ' 104' ' ' GLU . 3.4 pp -53.74 -38.3 64.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.512 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -63.91 -40.92 97.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 179.957 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.765 ' CE1' HG22 ' A' ' 154' ' ' THR . 7.6 t80 -64.92 -52.1 58.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.836 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.516 ' CE ' HD11 ' A' ' 110' ' ' LEU . 4.1 ptt? -66.2 -27.25 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 179.888 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -32.27 71.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.8 -45.37 92.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.897 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -122.04 94.3 4.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.651 HD13 ' HB3' ' A' ' 114' ' ' LYS . 5.1 mt -149.08 178.01 9.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -77.06 -176.03 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.854 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -65.18 -51.02 63.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -66.94 -51.78 51.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.651 ' HB3' HD13 ' A' ' 110' ' ' LEU . 10.0 mmpt? -54.78 -34.13 62.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.892 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.65 -53.08 17.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.978 179.863 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -54.24 -39.24 66.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.855 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -79.32 -33.14 43.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.949 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.49 81.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.068 179.798 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -55.59 -49.33 73.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.2 t -60.95 -41.6 89.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.473 HD21 HG12 ' A' ' 41' ' ' ILE . 1.5 mp -62.55 -48.94 77.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -57.71 -54.03 51.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.992 179.888 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -53.98 -51.0 65.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.28 -51.86 65.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.582 HG22 ' CD1' ' A' ' 129' ' ' ILE . 9.2 m -52.84 -45.93 67.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 -179.878 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -60.31 -44.02 95.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 179.949 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.5 m -62.74 -56.04 21.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.619 HD23 ' N ' ' A' ' 129' ' ' ILE . 0.2 OUTLIER -54.6 -51.98 63.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.912 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.779 HD11 HD12 ' A' ' 96' ' ' LEU . 97.0 mt -57.67 -39.6 70.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.06 179.875 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.22 -48.32 82.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 51.0 mt -67.4 -52.17 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.173 179.938 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.65 ' O ' HG23 ' A' ' 136' ' ' VAL . 4.4 m-85 -56.57 -44.75 81.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -62.81 -48.77 77.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -49.07 69.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -60.72 -52.09 66.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 132' ' ' PHE . 90.3 t -55.67 -55.03 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.148 179.941 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -54.16 -42.34 69.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.807 179.978 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -68.45 -29.35 67.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.862 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.962 -179.966 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.2 p . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.937 0.398 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 150' ' ' ASN . . . . . 0.463 ' O ' HG23 ' A' ' 154' ' ' THR . 5.1 t-20 -50.84 -46.63 60.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -57.99 -49.87 75.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.01 179.888 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 18.2 mt -54.32 -55.92 23.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.908 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.512 ' CD1' HG21 ' A' ' 168' ' ' THR . 3.9 mm? -52.7 -61.99 1.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.845 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.765 HG22 ' CE1' ' A' ' 105' ' ' TYR . 64.0 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.835 0.35 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -58.99 -26.44 64.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.91 -25.26 19.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 -179.938 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -69.34 -70.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.86 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 168' ' ' THR . . . . . 0.512 HG21 ' CD1' ' A' ' 153' ' ' LEU . 11.6 m -50.31 -45.18 54.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.618 HG21 HD21 ' A' ' 48' ' ' LEU . 1.5 mp -60.02 -48.71 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 179.866 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.69 -32.22 71.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 179.878 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -54.37 18.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.44 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.3 pt -62.95 -38.76 82.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.486 HD11 ' SD ' ' A' ' 44' ' ' MET . 3.5 mm? -68.88 -59.27 3.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.956 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 174' ' ' LYS . . . . . 0.523 ' HD2' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -56.19 -31.79 63.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.91 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 32.8 t -70.15 -52.03 26.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.0 tp -57.27 -45.25 84.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 177' ' ' GLU . . . . . 0.659 ' OE1' HG22 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -61.52 -51.73 67.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.908 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.558 ' O ' HG22 ' A' ' 182' ' ' VAL . 13.2 mm-40 -58.41 -37.34 75.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.931 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.499 ' CE2' HG23 ' A' ' 92' ' ' ILE . 32.3 t80 -73.7 -29.43 62.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.461 HD12 ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -74.31 -49.29 23.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.959 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 181' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -61.66 -45.36 94.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.774 179.897 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 178' ' ' GLU . 33.4 m -66.93 -39.38 83.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.106 179.965 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.415 ' N ' HG23 ' A' ' 182' ' ' VAL . 12.0 m -66.4 -35.44 80.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 179.987 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.575 HD23 ' CD1' ' A' ' 34' ' ' ILE . 2.6 tm? -71.98 -48.52 44.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -68.41 -27.93 66.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 -179.971 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 30.0 t -75.31 -52.04 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.847 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.8 t -63.87 -24.93 67.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.965 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.402 HG13 HG23 ' A' ' 26' ' ' THR . 8.9 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.796 0.331 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 63.36 47.95 3.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.402 HG23 HG13 ' A' ' 24' ' ' VAL . 9.3 p -98.34 163.35 12.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.105 -179.969 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.91 -47.11 64.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.081 -179.915 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.7 m -51.56 -51.45 55.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -60.04 -38.75 83.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.0 -179.925 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.3 t -62.39 -54.4 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.961 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.711 ' O ' HG23 ' A' ' 35' ' ' THR . . . -57.12 -52.4 51.61 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.496 179.997 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.23 -40.81 94.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.451 -179.899 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.818 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.1 OUTLIER -64.57 -48.86 73.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.741 0.305 . . . . 0.0 110.906 -179.812 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.674 HG21 ' HG ' ' A' ' 184' ' ' LEU . 21.6 mm -56.17 -42.33 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.206 179.779 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.711 HG23 ' O ' ' A' ' 31' ' ' GLY . 29.9 p -65.59 -44.43 86.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.246 179.842 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -58.61 -55.14 38.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.869 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.716 HG22 HD11 ' A' ' 41' ' ' ILE . 8.9 p -59.49 -36.2 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.687 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -59.93 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.967 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 58.2 t90 -64.99 -43.3 93.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -45.08 94.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.716 HD11 HG22 ' A' ' 37' ' ' VAL . 36.4 mt -63.17 -44.46 99.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.695 HG22 ' OE1' ' A' ' 177' ' ' GLU . 99.1 t -59.31 -46.14 92.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 179.872 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -67.68 -43.98 78.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -31.92 73.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 179.895 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -72.74 -51.21 20.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.16 -28.68 66.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 -179.916 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -53.89 -37.51 63.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.0 mt -55.16 -33.95 63.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.6 m -96.47 40.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 54.95 30.23 13.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.86 41.04 95.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.51 179.946 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -95.01 110.22 22.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 110.831 -179.841 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.3 p -55.18 -28.94 56.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.82 -179.871 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -61.55 -39.34 90.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.7 t -55.1 -29.4 57.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 7.8 mtt -65.92 -48.98 69.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -102.66 35.52 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -88.74 -60.38 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.927 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -121.15 37.96 4.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -103.89 31.07 4.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.786 -179.945 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.93 -25.45 8.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.95 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.87 -34.5 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.97 -41.0 74.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.759 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -53.82 -29.03 38.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -115.31 35.31 4.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -156.18 28.84 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.38 134.48 38.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -25.31 65.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mt -79.02 154.78 77.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 0.0 110.936 179.869 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.464 -0.222 0 C-N-CA 122.8 2.333 . . . . 0.0 112.345 179.811 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.687 0.279 . . . . 0.0 110.808 . . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 78.3 mt -113.76 -24.04 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 179.885 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.6 p -66.94 -42.44 85.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -52.63 59.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.82 -179.784 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.3 -51.09 60.94 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 -179.996 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mp -52.78 -53.04 53.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.941 0.401 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -49.16 72.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -52.72 -47.8 67.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -59.84 -46.62 88.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.885 -179.841 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -54.62 -46.65 73.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.7 t -65.38 -39.47 92.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.943 -179.834 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.731 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.6 m-85 -59.72 -64.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.929 -179.862 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 104' ' ' GLU . 3.2 pp -53.74 -43.22 68.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.547 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.1 mm-40 -56.2 -43.55 78.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -65.4 -41.1 94.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.54 ' HE3' HD21 ' A' ' 110' ' ' LEU . 2.6 ttt -66.6 -35.8 81.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.585 ' HZ2' ' HB1' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -51.94 -43.9 63.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.997 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -59.03 -19.94 48.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -136.16 85.8 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.817 HD22 ' HB3' ' A' ' 114' ' ' LYS . 11.3 mt -149.5 155.74 40.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.018 179.909 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -68.26 -176.03 0.69 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -64.07 -51.15 65.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.841 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -70.42 -46.37 64.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.817 ' HB3' HD22 ' A' ' 110' ' ' LEU . 1.1 mmmp? -55.9 -46.7 78.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -58.41 -48.52 80.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.83 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.63 -50.36 65.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -68.12 -36.92 80.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.585 ' HB1' ' HZ2' ' A' ' 107' ' ' LYS . . . -54.96 -48.16 73.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.851 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -52.9 -49.16 66.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.6 t -61.24 -38.52 79.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -50.68 61.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -61.74 -30.03 70.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.993 179.899 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -70.28 -52.05 25.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -61.27 -39.18 89.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.45 ' HA ' HD23 ' A' ' 128' ' ' LEU . 7.9 m -65.4 -49.54 68.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.875 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -60.1 -36.57 77.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 18.7 m -67.01 -55.95 12.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 -179.856 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.818 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -58.42 -33.25 69.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.995 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 41.9 mt -70.54 -43.18 78.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.891 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -64.14 -40.95 97.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 89.3 mt -66.62 -51.86 52.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -63.65 -50.19 70.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -57.38 -41.93 81.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -63.54 -47.15 82.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.55 -52.23 65.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 33.8 m -67.27 -33.54 63.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 11.9 tttp -70.0 -27.24 64.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.86 -45.58 14.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 179.813 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.54 ' O ' HD12 ' A' ' 153' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.029 0 CA-C-O 120.908 0.385 . . . . 0.0 110.868 . . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 150' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 154' ' ' THR . 54.0 t30 -50.91 -41.4 58.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.88 94.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.161 179.861 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.86 -57.44 9.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 149' ' ' SER . 1.0 OUTLIER -55.5 -53.17 59.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.922 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 150' ' ' ASN . 72.9 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 -179.996 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 78.7 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.802 0.334 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -64.84 -43.12 94.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.807 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.14 -26.87 12.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 -179.881 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -69.83 -69.69 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.1 m -48.77 -44.39 38.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.87 -46.32 96.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 179.848 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -61.24 -33.42 73.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -55.3 9.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.731 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.3 pt -61.12 -36.24 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.208 -179.985 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 18.6 mt -67.31 -52.32 41.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -58.03 -41.42 83.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 179.885 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 3.1 p -64.22 -47.5 79.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.0 tp -56.53 -53.49 56.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 177' ' ' GLU . . . . . 0.695 ' OE1' HG22 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -57.24 -56.07 26.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 179.942 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -56.85 -30.03 63.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.484 ' HA ' HG12 ' A' ' 182' ' ' VAL . 40.4 t80 -76.1 -32.51 59.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.816 -179.867 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.414 HD12 ' CD1' ' A' ' 41' ' ' ILE . 44.3 mt -72.33 -45.68 58.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -43.0 71.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.87 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 179' ' ' PHE . 5.4 p -66.67 -33.24 62.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.136 179.846 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.518 ' O ' HG22 ' A' ' 187' ' ' THR . 18.6 m -75.54 -42.58 52.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.198 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.674 ' HG ' HG21 ' A' ' 34' ' ' ILE . 2.1 tm? -64.1 -40.99 97.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 179.953 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -74.38 -47.47 33.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 32.1 t -54.83 -52.21 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 183' ' ' THR . 13.9 t -66.32 -21.55 66.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.155 -179.966 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.94 179.949 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.9 t . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.836 0.35 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 63.76 29.83 14.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.82 -179.917 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -97.26 176.9 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 -179.981 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.05 -30.59 66.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 -179.876 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.7 m -68.95 -45.75 69.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -59.9 -51.32 70.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 31' ' ' GLY . 19.1 m -61.59 -42.73 95.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.418 ' N ' HG23 ' A' ' 30' ' ' VAL . . . -57.82 -52.28 53.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.44 179.986 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.42 -37.97 95.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.47 -179.938 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.696 HD21 ' O ' ' A' ' 124' ' ' ASP . 3.2 tt -66.41 -40.44 89.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.824 0.345 . . . . 0.0 110.855 -179.865 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.543 ' O ' HD23 ' A' ' 38' ' ' LEU . 12.0 mm -64.84 -49.63 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.863 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.9 p -61.56 -44.81 96.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -62.53 -54.99 31.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -31.83 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.669 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.9 OUTLIER -66.99 -48.83 67.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.994 179.899 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -62.52 -41.38 98.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.85 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.417 ' HB3' HD11 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -62.94 -50.45 70.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.997 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.9 mt -57.25 -44.74 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 38' ' ' LEU . 99.0 t -59.54 -57.06 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.023 179.911 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -57.9 -45.37 86.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.9 ttt -63.17 -31.85 73.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -69.67 -51.21 36.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -70.52 -28.49 64.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.997 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -53.86 -34.85 60.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.908 HD23 HG22 ' A' ' 166' ' ' THR . 9.9 mp -55.3 -33.4 63.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.9 m -96.42 34.57 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.878 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 t30 62.24 26.83 16.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.06 39.09 96.1 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.538 -179.991 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -93.22 112.22 24.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.763 0.316 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.9 p -55.29 -26.85 42.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 -179.794 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.02 -47.08 81.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -27.59 38.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 30.9 mtp -65.22 -34.82 79.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.851 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -121.3 28.5 7.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -98.0 -56.17 2.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.781 -179.953 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -96.29 26.28 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.839 179.979 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -96.19 26.42 4.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.804 -179.933 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.29 -29.47 7.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.884 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.57 -38.96 3.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.464 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -61.56 -37.42 83.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 179.857 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -67.52 -29.06 68.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -105.22 27.1 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -139.16 26.63 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -104.59 133.19 49.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 -179.977 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.75 25.74 10.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.874 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.409 HD22 ' CB ' ' A' ' 175' ' ' SER . 10.5 mp -84.11 160.61 57.22 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.574 0.702 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.741 2.294 . . . . 0.0 112.299 179.909 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 mttm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.769 0.318 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 43.6 mt -115.55 -29.14 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.883 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.583 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -65.94 -50.08 65.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.874 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 t -59.0 -51.98 67.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.93 -51.0 59.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.607 179.946 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.66 HD13 HG12 ' A' ' 129' ' ' ILE . 30.9 mt -54.59 -53.6 52.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.903 0.383 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 93' ' ' SER . 0.3 OUTLIER -53.06 -49.11 67.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.948 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.4 -51.67 64.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.899 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.411 ' HB3' HD13 ' A' ' 176' ' ' LEU . 34.0 m-85 -54.69 -49.03 71.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.986 -179.884 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -54.33 -49.72 69.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.918 179.86 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.1 m -61.22 -36.32 79.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.75 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.507 ' HD1' HD11 ' A' ' 153' ' ' LEU . 17.8 m-85 -63.43 -64.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.835 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.5 pp -55.22 -35.13 64.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.006 179.91 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.462 ' N ' HD12 ' A' ' 103' ' ' LEU . 2.3 mm-40 -66.15 -41.61 90.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.867 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.681 ' CD2' HD13 ' A' ' 153' ' ' LEU . 35.5 t80 -65.79 -52.14 53.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.858 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 13.1 ptm -63.77 -32.38 73.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -67.45 -25.99 66.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -59.86 -39.21 84.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.959 179.903 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -125.94 96.57 4.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.808 -179.962 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.628 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.9 mt -145.48 173.68 11.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -73.35 -175.89 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.4 -51.18 68.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.8 179.863 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -72.08 -48.01 47.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.628 ' CB ' HD22 ' A' ' 110' ' ' LEU . 1.2 mmmp? -55.92 -33.93 65.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -67.37 -46.08 74.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.939 179.818 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.49 -46.01 91.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 179.881 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -68.78 -47.4 66.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.96 -43.34 73.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 179.917 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -49.65 72.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.2 t -61.69 -43.31 96.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.417 HD11 ' HB3' ' A' ' 40' ' ' GLU . 3.2 mp -55.98 -50.19 71.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.1 tm0? -61.24 -48.16 82.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -55.56 -53.27 58.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.696 ' O ' HD21 ' A' ' 33' ' ' LEU . 3.1 m-20 -55.01 -55.21 33.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.3 m -56.25 -44.32 79.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.209 -179.958 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -53.36 53.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.551 HG22 HD11 ' A' ' 131' ' ' ILE . 97.5 m -61.7 -37.29 83.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.065 -179.816 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.555 HD23 HD22 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -63.09 -52.06 64.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.992 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.66 HG12 HD13 ' A' ' 96' ' ' LEU . 27.9 mt -61.06 -38.08 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.819 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -46.23 88.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.859 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.551 HD11 HG22 ' A' ' 127' ' ' THR . 20.0 mt -63.41 -53.01 50.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.544 ' O ' HG23 ' A' ' 136' ' ' VAL . 2.4 m-85 -59.84 -50.02 75.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -61.7 -37.83 85.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.56 -53.4 56.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -60.87 -51.82 67.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 132' ' ' PHE . 94.7 t -57.89 -40.08 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.042 -179.986 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -67.01 -39.72 87.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -48.02 79.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.886 179.869 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.9 tt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.933 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.908 0.385 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 150' ' ' ASN . . . . . 0.484 ' O ' HG23 ' A' ' 154' ' ' THR . 7.8 t30 -56.34 -49.08 75.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.91 -49.57 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.934 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.6 mp -56.92 -59.94 4.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.681 HD13 ' CD2' ' A' ' 105' ' ' TYR . 15.5 mt -53.32 -55.34 25.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.817 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 150' ' ' ASN . 72.6 p . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 -179.988 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.726 0.298 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -71.33 -32.31 68.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 166' ' ' THR . . . . . 0.908 HG22 HD23 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -53.09 -26.07 15.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.174 -179.895 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -69.75 -70.08 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.4 m -49.42 -45.21 46.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.68 -49.95 82.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.892 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -61.3 -29.59 69.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -55.49 9.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.811 -179.848 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 102' ' ' TYR . 21.3 pt -60.39 -35.67 64.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.149 179.999 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.08 -51.62 52.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.956 179.879 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -57.01 -48.01 79.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.811 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.409 ' CB ' HD22 ' A' ' 69' ' ' LEU . 2.7 p -61.03 -46.63 89.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.411 HD13 ' HB3' ' A' ' 99' ' ' TYR . 9.9 tp -55.56 -48.12 75.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -54.5 45.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 182' ' ' VAL . 24.7 mt-10 -54.61 -50.24 68.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.49 -34.65 74.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 4.3 mt -63.86 -61.73 2.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -44.43 68.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.83 179.807 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 178' ' ' GLU . 77.0 t -60.97 -41.52 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.15 179.914 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.487 ' O ' HG22 ' A' ' 187' ' ' THR . 74.3 m -63.24 -44.49 95.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -179.947 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.515 ' O ' HD13 ' A' ' 184' ' ' LEU . 0.7 OUTLIER -63.39 -43.82 96.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.976 179.982 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -70.24 -33.67 71.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.856 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 29.3 t -72.37 -52.14 17.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.763 -179.737 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 183' ' ' THR . 14.6 t -65.34 -16.94 64.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.935 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.947 . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.524 HG23 ' H ' ' A' ' 26' ' ' THR . 17.0 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.9 0.381 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 61.93 33.31 17.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.524 ' H ' HG23 ' A' ' 24' ' ' VAL . 45.6 p -96.61 165.97 11.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.246 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.22 -33.78 42.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 m -69.05 -44.65 72.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -51.06 70.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 31' ' ' GLY . 18.5 m -60.67 -42.14 90.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 -179.952 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.714 ' O ' HG23 ' A' ' 35' ' ' THR . . . -59.24 -53.39 46.7 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.519 179.985 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.09 -44.75 97.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.909 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.78 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.1 OUTLIER -62.84 -44.46 96.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 0.0 110.957 -179.968 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.673 HG21 ' HG ' ' A' ' 184' ' ' LEU . 9.9 mm -57.58 -42.52 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 31' ' ' GLY . 26.8 p -66.5 -43.25 85.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.959 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -55.48 34.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.42 HG22 ' CD1' ' A' ' 41' ' ' ILE . 7.7 p -59.07 -39.94 79.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.742 HD22 HD13 ' A' ' 180' ' ' LEU . 0.3 OUTLIER -54.99 -49.06 72.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.996 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -66.9 -38.84 86.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.471 ' HB3' HD11 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -61.69 -43.59 98.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 179.947 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.42 ' CD1' HG22 ' A' ' 37' ' ' VAL . 65.3 mt -65.42 -49.13 80.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.07 -179.973 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 38' ' ' LEU . 74.2 t -55.02 -58.7 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.892 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -46.84 78.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.455 ' HE1' ' HB2' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -59.97 -31.6 70.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.992 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.401 ' HA ' HD13 ' A' ' 173' ' ' LEU . 8.1 ttp85 -71.85 -51.34 22.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -67.98 -28.92 67.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -55.13 -35.36 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.25 -29.74 70.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -96.11 32.87 1.83 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 179.908 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.82 32.38 15.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.86 44.11 98.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.441 179.869 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -100.25 113.26 25.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.824 0.345 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 85.5 p -63.04 -39.49 94.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -26.61 67.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.0 t -65.97 -26.69 67.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.1 mmm -72.85 -41.64 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -96.84 31.39 2.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -92.93 -61.64 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -99.66 30.03 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.803 179.99 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -97.72 30.5 2.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.63 -30.14 5.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.057 179.962 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.6 -38.83 3.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.78 -34.56 65.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.831 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.13 -28.71 58.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -122.63 38.97 4.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -154.05 28.68 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.951 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.5 139.6 34.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -25.46 45.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.52 154.69 78.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.687 0.756 . . . . 0.0 110.926 179.894 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.233 0 C-N-CA 122.684 2.256 . . . . 0.0 112.411 179.826 . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.0 mttt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.731 0.3 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.5 mt -103.47 -24.43 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 179.891 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -50.03 68.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.894 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.4 t -56.49 -51.9 66.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.723 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.43 -52.04 54.14 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.443 179.993 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.421 HD23 HG12 ' A' ' 129' ' ' ILE . 1.3 mp -61.24 -38.67 87.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.84 0.353 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.516 HD23 ' N ' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -63.33 -48.91 76.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.976 179.839 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.516 ' N ' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -59.93 -52.38 65.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.914 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.649 ' HB3' HD13 ' A' ' 176' ' ' LEU . 21.7 m-85 -54.81 -46.57 74.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.003 -179.962 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -57.67 -49.66 75.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.812 179.941 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.8 m -61.89 -31.94 72.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.8 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.782 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.0 m-85 -67.95 -64.29 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.579 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.4 pp -52.79 -39.79 62.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.579 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -66.23 -43.59 86.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.971 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.749 ' CD2' HD13 ' A' ' 153' ' ' LEU . 45.8 t80 -59.61 -44.94 93.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.985 -179.909 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 18.9 ttp -75.0 -28.04 60.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.841 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -66.19 -31.24 71.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -59.84 -33.88 72.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -129.62 98.21 4.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 -179.961 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.613 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.6 mt -149.06 173.99 12.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -66.42 -176.17 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.834 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -62.94 -51.16 67.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.904 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.61 -44.75 41.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.613 ' CB ' HD22 ' A' ' 110' ' ' LEU . 20.6 mmtm -55.8 -37.21 68.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.9 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -67.31 -43.8 80.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.26 -48.51 81.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.788 179.935 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.451 ' O ' HD12 ' A' ' 121' ' ' LEU . 11.8 mmtt -69.7 -44.11 71.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.455 ' HB2' ' HE1' ' A' ' 44' ' ' MET . . . -54.77 -44.12 73.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.089 179.839 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -55.88 -49.84 72.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.477 ' O ' ' HG3' ' A' ' 123' ' ' ARG . 46.2 t -63.38 -32.8 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.902 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.471 HD11 ' HB3' ' A' ' 40' ' ' GLU . 0.3 OUTLIER -70.09 -36.5 74.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.979 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -71.39 -54.07 11.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -53.75 -44.84 70.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.892 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.474 ' N ' ' HE ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -64.31 -44.58 91.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.96 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.616 HG22 HD12 ' A' ' 129' ' ' ILE . 69.2 m -56.75 -45.0 82.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.906 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.2 -41.87 94.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.4 m -61.86 -56.01 23.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -179.894 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.78 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -60.88 -34.82 75.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.952 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.616 HD12 HG22 ' A' ' 125' ' ' THR . 23.2 mt -69.76 -33.68 57.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.869 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -72.15 -41.92 66.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.9 mt -67.2 -46.95 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.453 ' O ' HG23 ' A' ' 136' ' ' VAL . 2.0 m-85 -65.57 -49.97 66.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -60.24 -40.35 89.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -63.19 -53.54 51.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.21 -49.01 73.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 132' ' ' PHE . 97.7 t -64.03 -42.9 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -45.16 79.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -74.88 -30.61 61.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.832 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.857 0.36 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 150' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 154' ' ' THR . 0.9 OUTLIER -51.7 -47.5 63.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.96 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -63.15 -36.3 83.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.86 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 40.7 mt -62.5 -60.16 3.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.749 HD13 ' CD2' ' A' ' 105' ' ' TYR . 12.8 mt -56.37 -50.64 70.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 150' ' ' ASN . 71.2 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.836 0.351 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 10.6 ptt-85 -62.06 -26.77 68.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.74 -26.64 5.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 -179.95 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.45 -69.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.859 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.0 m -48.38 -42.33 31.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.9 mm -65.99 -43.72 92.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -63.09 -34.99 78.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.923 179.918 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -55.01 10.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.86 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.782 HD12 ' HB3' ' A' ' 102' ' ' TYR . 20.1 pt -60.36 -35.61 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 173' ' ' LEU . 18.1 mt -67.69 -53.48 27.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -58.55 -46.47 86.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.758 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 6.0 t -62.69 -42.21 99.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.649 HD13 ' HB3' ' A' ' 99' ' ' TYR . 7.0 tp -59.1 -55.79 30.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.939 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.54 -51.72 67.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -54.39 -50.14 68.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -63.73 -34.88 78.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.742 HD13 HD22 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -63.56 -67.25 0.44 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.891 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 181' ' ' LYS . . . . . 0.549 ' HD2' HG23 ' A' ' 182' ' ' VAL . 0.0 OUTLIER -52.01 -43.67 63.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.777 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.549 HG23 ' HD2' ' A' ' 181' ' ' LYS . 19.0 t -59.66 -41.8 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 179.834 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 55.2 m -64.68 -50.82 65.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.052 -179.946 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.673 ' HG ' HG21 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -55.06 -52.37 63.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.994 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -64.98 -33.36 75.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.88 -51.48 64.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.753 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.7 t -66.72 -24.4 66.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.818 -179.948 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.593 ' HB ' HG22 ' A' ' 26' ' ' THR . 21.7 t . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.866 0.365 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 63.39 26.01 14.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.642 HG23 ' H ' ' A' ' 29' ' ' GLN . 4.3 t -97.59 160.67 14.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.981 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.98 -35.41 46.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.93 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 t -67.7 -43.4 80.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.859 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.642 ' H ' HG23 ' A' ' 26' ' ' THR . 2.6 tm0? -62.29 -51.25 68.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 -179.998 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 m -61.83 -39.79 84.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.888 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.46 -52.81 48.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 179.934 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.58 -35.62 92.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.89 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 128' ' ' LEU . 10.2 tt -69.02 -39.34 79.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.637 ' CD1' HD23 ' A' ' 184' ' ' LEU . 34.3 mt -65.14 -49.05 81.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.149 179.865 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.7 t -62.63 -39.83 95.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -62.3 -55.35 29.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.429 HG22 HD11 ' A' ' 41' ' ' ILE . 13.7 p -60.2 -33.48 53.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 179.896 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.464 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -62.18 -49.06 77.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.958 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -64.43 -41.96 96.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.67 ' HB3' HD11 ' A' ' 121' ' ' LEU . 1.2 tm-20 -61.04 -41.99 97.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.953 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.429 HD11 HG22 ' A' ' 37' ' ' VAL . 57.7 mt -64.26 -47.42 89.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 -179.952 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 38' ' ' LEU . 96.8 t -58.58 -42.23 84.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 179.86 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.69 -42.29 64.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -31.61 72.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.2 ttp85 -77.13 -51.15 11.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.5 pttp -67.36 -28.65 68.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -54.13 -39.3 66.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.809 179.981 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.7 mt -56.28 -28.73 59.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.4 m -96.55 27.28 3.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.827 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.48 32.3 20.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 59.02 44.93 95.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.552 179.964 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -98.94 116.45 31.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -59.34 -31.73 69.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -64.4 -41.74 96.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.71 -26.71 64.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.6 mtp -69.35 -46.41 67.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -99.57 29.52 4.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -87.63 -53.57 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.14 23.05 14.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.805 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -98.75 29.71 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.32 -32.72 6.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.2 -26.42 7.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.37 -35.14 64.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.19 179.848 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -54.61 -27.4 39.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -121.7 35.22 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -146.29 27.35 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.826 -180.0 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.14 133.11 52.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.889 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -90.66 -24.22 20.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.805 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.411 HD23 ' HE1' ' A' ' 99' ' ' TYR . 8.6 mp -65.43 160.66 57.5 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.671 0.748 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.215 0 C-N-CA 122.667 2.245 . . . . 0.0 112.394 179.827 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.753 0.311 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 57.6 mt -110.95 -23.96 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.7 p -71.06 -48.47 52.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.898 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.54 -48.4 72.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.845 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.17 -52.44 47.4 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.41 HD13 ' HE2' ' A' ' 179' ' ' PHE . 1.1 mp -58.21 -55.5 34.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.863 0.363 . . . . 0.0 110.943 -179.878 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -52.93 -47.68 67.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.88 179.872 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.433 ' N ' HD23 ' A' ' 97' ' ' LEU . 4.8 mt-10 -54.74 -51.52 65.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.411 ' HE1' HD23 ' A' ' 69' ' ' LEU . 22.9 m-85 -55.77 -47.0 77.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.959 -179.879 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -55.04 -48.07 73.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.809 179.94 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.1 p -62.92 -37.1 85.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.785 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.1 m-85 -62.14 -62.95 1.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.51 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.5 pp -55.68 -37.14 67.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.51 ' N ' HD12 ' A' ' 103' ' ' LEU . 18.2 mt-10 -63.2 -42.28 99.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.937 179.907 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -69.4 -37.1 77.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.878 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.2 ttp -75.22 -28.39 59.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.81 179.934 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -67.45 -28.17 67.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -59.88 -33.59 72.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -132.33 97.09 4.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 179.917 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.503 HD22 ' HB3' ' A' ' 114' ' ' LYS . 6.1 mt -148.81 178.03 9.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -176.05 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 179.811 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.09 -51.14 63.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.865 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -75.92 -42.83 47.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.503 ' HB3' HD22 ' A' ' 110' ' ' LEU . 23.1 mmtm -55.88 -42.82 76.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.941 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -67.89 -48.04 67.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -50.05 61.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.838 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -72.71 -36.85 67.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.94 -45.52 74.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.002 179.912 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -55.52 -50.05 71.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.889 -179.859 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 78.1 t -60.39 -41.89 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.67 HD11 ' HB3' ' A' ' 40' ' ' GLU . 0.3 OUTLIER -58.25 -46.08 86.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.992 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -64.71 -40.66 95.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.06 -55.0 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.807 -179.938 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -37.82 86.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.594 HG22 HD12 ' A' ' 129' ' ' ILE . 86.4 m -59.88 -44.53 94.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 -179.914 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.94 -37.88 82.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.406 HG22 HD11 ' A' ' 131' ' ' ILE . 23.0 m -64.21 -56.56 13.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 -179.842 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.537 ' HB3' HD22 ' A' ' 33' ' ' LEU . 2.4 pp -61.53 -38.23 86.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.594 HD12 HG22 ' A' ' 125' ' ' THR . 22.3 mt -65.81 -36.41 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 179.773 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -41.45 74.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 128' ' ' LEU . 6.7 mt -64.91 -52.41 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.954 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.83 -50.27 72.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -57.94 -39.73 78.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.888 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -63.12 -51.63 65.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.76 -51.96 65.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.876 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.2 p -65.96 -28.06 42.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -39.54 78.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.21 -40.78 51.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.758 -179.945 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.6 m . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 150' ' ' ASN . . . . . 0.482 ' O ' HG23 ' A' ' 154' ' ' THR . 8.7 p-10 -51.5 -51.02 58.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.75 -34.24 74.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.795 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 47.7 mt -63.58 -58.78 5.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.55 -50.46 71.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 150' ' ' ASN . 60.4 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.217 179.945 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.83 0.347 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -37.16 84.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.882 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.32 -26.51 12.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.907 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -69.43 -70.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 179.868 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.9 m -48.64 -45.57 38.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.219 -179.992 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.39 -47.02 95.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -61.67 -32.96 73.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 179.967 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -55.16 11.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.785 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.9 pt -60.8 -35.95 67.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.52 -51.74 53.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 179.853 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -58.3 -46.89 85.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.793 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 2.6 t -60.03 -45.45 92.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.584 HD11 HD11 ' A' ' 180' ' ' LEU . 10.0 tp -57.63 -54.99 40.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -53.44 -57.07 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.9 -50.15 69.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.41 ' HE2' HD13 ' A' ' 96' ' ' LEU . 25.3 t80 -55.13 -41.7 72.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.584 HD11 HD11 ' A' ' 176' ' ' LEU . 48.6 mt -63.58 -40.54 97.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -66.02 -53.54 37.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.778 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 27.0 m -60.09 -34.16 55.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.046 179.941 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 89.7 m -73.11 -37.25 66.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.637 HD23 ' CD1' ' A' ' 34' ' ' ILE . 3.0 tm? -69.99 -36.84 75.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.897 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -80.64 -31.41 36.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.792 -179.954 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 10.9 m -74.92 -49.98 18.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.9 t -52.04 -29.63 21.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.104 -179.901 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 179.978 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.613 HG12 HG23 ' A' ' 26' ' ' THR . 21.4 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.872 0.367 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 63.53 27.75 15.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 179.987 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.613 HG23 HG12 ' A' ' 24' ' ' VAL . 12.8 p -83.53 177.01 8.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.141 -179.943 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.12 -33.58 74.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -43.58 78.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -50.5 71.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.611 ' CG1' HG21 ' A' ' 131' ' ' ILE . 23.4 m -62.33 -39.34 83.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.65 -52.87 48.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.437 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.12 -36.06 92.49 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 -179.924 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.582 HD21 ' N ' ' A' ' 128' ' ' LEU . 6.8 tp -66.9 -39.25 87.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.753 0.311 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.471 HG21 ' HG ' ' A' ' 184' ' ' LEU . 39.9 mt -66.99 -52.95 38.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.878 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -57.81 -40.48 80.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 -179.98 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -64.53 -54.85 25.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.828 179.985 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.438 HG23 ' CB ' ' A' ' 124' ' ' ASP . 0.3 OUTLIER -58.99 -31.34 45.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.102 179.993 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.669 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -66.97 -48.82 67.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.981 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.0 t90 -63.08 -40.85 98.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -49.56 74.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.534 ' HA ' HD21 ' A' ' 121' ' ' LEU . 37.9 mt -58.56 -44.14 88.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.079 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 38' ' ' LEU . 88.5 t -60.31 -47.22 93.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.845 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -66.76 -43.52 83.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.47 ' SD ' HD22 ' A' ' 121' ' ' LEU . 9.5 ttt -65.81 -32.04 73.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.468 ' HA ' HD23 ' A' ' 173' ' ' LEU . 6.0 ttt180 -72.13 -50.81 25.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -69.95 -28.98 66.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -53.87 -33.5 56.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.975 179.926 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.465 HD23 ' HE3' ' A' ' 114' ' ' LYS . 28.0 mt -56.42 -36.3 68.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.17 29.84 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 t30 61.79 38.77 14.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 53.75 42.74 68.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -100.75 114.72 28.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.1 m -55.68 -26.79 46.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 -179.836 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.56 -29.35 66.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.802 179.999 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.65 -26.28 37.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 -179.891 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.5 mmm -74.07 -31.08 62.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -118.74 27.82 8.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.945 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -81.82 -65.85 0.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.671 ' OD1' HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -107.09 40.09 1.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.837 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -95.92 26.24 4.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.04 -43.89 1.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.671 HD21 ' OD1' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -91.65 -34.02 14.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.975 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.83 -31.91 29.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.152 179.743 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -55.95 -34.05 65.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -106.01 25.51 10.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -151.12 24.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.743 HD22 HD12 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -103.34 -55.84 2.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 179.944 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.65 21.59 8.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.817 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.743 HD12 HD22 ' A' ' 67' ' ' LEU . 20.3 mt -84.1 159.37 59.85 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.756 2.304 . . . . 0.0 112.348 179.848 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.9 mttt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.807 0.337 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.0 mt 71.16 -68.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.872 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.69 -50.04 55.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.9 t -54.91 -52.7 62.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.06 -50.56 66.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 -179.949 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.4 mp -52.37 -45.98 65.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -49.24 77.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -56.11 -56.34 21.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.472 ' HB3' HD22 ' A' ' 176' ' ' LEU . 27.2 m-85 -54.05 -44.91 71.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.847 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -55.02 -50.25 69.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.7 m -62.04 -34.39 76.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.761 ' HB3' HD12 ' A' ' 172' ' ' ILE . 22.2 m-85 -63.98 -64.41 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.1 pp -53.12 -39.83 63.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.572 ' N ' HD12 ' A' ' 103' ' ' LEU . 3.2 tm-20 -66.39 -36.63 83.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 179.982 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.69 ' CE2' HD22 ' A' ' 153' ' ' LEU . 27.6 t80 -65.48 -52.09 55.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.813 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.427 ' HE1' HD11 ' A' ' 110' ' ' LEU . 3.5 ppp? -69.81 -27.26 64.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.856 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -66.73 -32.42 73.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -59.66 -28.69 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -136.73 96.91 3.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.667 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.5 mt -148.53 169.67 19.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -63.76 -176.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.823 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -63.66 -51.36 65.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 179.941 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -72.73 -47.19 49.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.667 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.4 mmtm -55.69 -34.83 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -67.52 -46.16 73.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -59.85 -45.26 92.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.856 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -72.35 -34.38 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 179.916 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.9 -35.63 80.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.778 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -64.9 -50.64 65.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.9 p -64.96 -37.15 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.886 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.534 HD21 ' HA ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER -63.98 -47.58 79.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.871 179.976 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.522 ' HA ' HD13 ' A' ' 103' ' ' LEU . 1.8 tt0 -62.52 -50.51 71.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -54.25 -53.21 56.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.438 ' CB ' HG23 ' A' ' 37' ' ' VAL . 56.1 m-20 -57.74 -41.43 81.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.612 HG22 HD12 ' A' ' 129' ' ' ILE . 89.2 m -60.06 -43.77 95.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 -179.902 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -67.87 -33.29 74.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.407 HG22 HD11 ' A' ' 131' ' ' ILE . 28.0 m -67.86 -56.74 7.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 -179.931 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.582 ' N ' HD21 ' A' ' 33' ' ' LEU . 3.0 pp -61.32 -39.58 91.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.612 HD12 HG22 ' A' ' 125' ' ' THR . 45.5 mt -67.13 -37.79 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -67.66 -40.46 84.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.611 HG21 ' CG1' ' A' ' 30' ' ' VAL . 8.0 mt -66.05 -52.39 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -62.6 -50.03 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.43 -39.93 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -63.09 -50.83 69.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -56.32 -52.18 65.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.4 p -65.69 -28.77 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 180.0 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -69.09 -39.63 78.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.97 -38.79 57.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.809 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 12.7 m . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.915 0.388 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 150' ' ' ASN . . . . . 0.431 ' O ' HG23 ' A' ' 154' ' ' THR . 0.8 OUTLIER -51.93 -50.86 60.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.988 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.14 90.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.061 179.91 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.91 -64.98 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.69 HD22 ' CE2' ' A' ' 105' ' ' TYR . 8.5 mt -52.74 -52.79 54.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 150' ' ' ASN . 67.5 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.169 179.987 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.754 0.312 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.97 -26.85 33.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.68 -26.64 5.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 -179.932 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -69.56 -68.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 179.924 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.0 m -48.37 -45.83 36.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 -179.988 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.2 mm -61.96 -48.28 89.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -62.24 -29.37 70.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.05 -55.27 8.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.761 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.5 pt -59.4 -36.79 66.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.072 -179.966 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 45' ' ' ARG . 1.1 tp -67.35 -53.41 29.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp -54.76 -46.57 74.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.437 ' OG ' HD13 ' A' ' 69' ' ' LEU . 6.3 p -61.34 -50.66 72.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.991 0.424 . . . . 0.0 110.9 -179.882 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.472 HD22 ' HB3' ' A' ' 99' ' ' TYR . 10.1 tp -52.49 -50.65 62.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.943 179.935 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 177' ' ' GLU . . . . . 0.616 ' CD ' HG22 ' A' ' 42' ' ' VAL . 8.8 tt0 -57.47 -56.84 16.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.39 -29.86 62.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.428 ' HA ' HG12 ' A' ' 182' ' ' VAL . 8.2 t80 -74.88 -35.35 62.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.874 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 177' ' ' GLU . 5.4 mt -70.44 -46.87 63.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -46.43 76.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.957 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 182' ' ' VAL . . . . . 0.428 HG12 ' HA ' ' A' ' 179' ' ' PHE . 9.2 p -64.36 -33.99 66.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.136 179.829 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 17.3 m -72.36 -40.99 66.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.478 ' C ' HD13 ' A' ' 184' ' ' LEU . 2.5 tm? -66.98 -40.7 87.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.69 -32.66 60.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.839 179.928 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 28.0 t -67.7 -51.17 52.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.74 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.3 t -55.7 -25.18 38.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.073 -179.972 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 -179.958 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.56 ' HB ' HG22 ' A' ' 26' ' ' THR . 21.7 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.812 0.339 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 63.46 21.57 12.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.56 HG22 ' HB ' ' A' ' 24' ' ' VAL . 10.0 t -98.21 166.01 11.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.207 179.972 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.25 -34.02 30.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -67.73 -42.26 82.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.808 -179.839 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -50.99 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.0 m -61.87 -39.84 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.02 -52.94 46.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 179.978 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.32 -36.34 93.28 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.515 -179.936 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.678 HD22 ' HB2' ' A' ' 128' ' ' LEU . 10.0 tt -69.54 -36.38 76.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.527 ' O ' HD13 ' A' ' 38' ' ' LEU . 48.7 mt -67.05 -46.58 84.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.852 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.7 t -67.12 -39.18 86.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 179.971 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -63.54 -55.64 22.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 33' ' ' LEU . 10.9 p -60.73 -36.16 69.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.589 HD11 ' CB ' ' A' ' 180' ' ' LEU . 1.7 mp -60.56 -49.09 78.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -64.1 -42.9 96.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 179.841 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.664 ' HB3' HD11 ' A' ' 121' ' ' LEU . 1.3 tm-20 -60.32 -42.83 96.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.462 HD11 HG22 ' A' ' 37' ' ' VAL . 57.6 mt -63.41 -46.84 94.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 38' ' ' LEU . 90.4 t -58.8 -43.18 87.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.172 179.836 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.48 -42.54 67.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.794 -179.964 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.9 ttt -65.74 -31.71 72.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.817 -179.967 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.718 ' HB2' HD23 ' A' ' 173' ' ' LEU . 0.8 OUTLIER -75.67 -51.18 13.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.857 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -28.77 67.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -55.76 -35.39 66.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.921 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.3 mt -54.88 -30.14 57.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.36 32.82 2.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.908 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 57.8 30.13 18.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.5 45.94 95.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.417 179.915 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -90.08 109.16 20.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 m -52.64 -41.16 63.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.803 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.9 -37.93 89.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.4 t -59.04 -26.24 64.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 -179.929 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 40.6 mtp -66.78 -51.77 51.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -97.07 25.95 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -84.17 -52.87 5.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.491 ' OD1' HD21 ' A' ' 62' ' ' LEU . 1.1 t70 -102.83 31.29 4.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.86 25.95 4.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.46 -35.87 3.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 179.911 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.491 HD21 ' OD1' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -102.66 -26.89 13.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.955 179.97 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.5 -32.67 58.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.829 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -55.3 -26.58 41.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.05 25.91 10.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.812 -179.892 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -139.81 25.82 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.2 mt -104.31 -66.83 0.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 58.67 21.93 9.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.872 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 mp -83.97 160.85 57.09 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.528 0.68 . . . . 0.0 110.945 179.889 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.201 0 C-N-CA 122.621 2.214 . . . . 0.0 112.338 179.858 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.761 0.315 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.0 mt 71.08 -69.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.0 p -53.04 -50.28 64.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.813 -179.937 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 m -58.7 -52.43 65.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.35 -44.32 95.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.946 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.6 mp -59.62 -45.12 92.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.348 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -49.09 78.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -56.8 -55.28 36.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -54.0 -46.15 71.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.955 -179.829 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -55.48 -49.24 73.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.5 m -62.24 -35.44 78.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 -179.863 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.681 ' HB3' HD12 ' A' ' 172' ' ' ILE . 11.6 m-85 -63.59 -63.47 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.906 -179.854 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.6 pp -55.67 -37.19 67.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.515 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.0 OUTLIER -65.89 -38.97 90.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.918 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.769 ' CE1' HG22 ' A' ' 154' ' ' THR . 5.7 t80 -67.12 -52.09 45.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.836 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.567 ' CE ' HD11 ' A' ' 110' ' ' LEU . 4.5 ppp? -67.21 -28.21 67.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.08 -33.74 71.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -62.96 -35.27 79.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.881 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -121.35 93.96 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.931 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.687 HD22 ' HB3' ' A' ' 114' ' ' LYS . 8.4 mt -149.14 170.24 18.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -68.85 -176.32 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.941 179.853 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.95 -51.19 67.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.801 179.915 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -76.02 -43.14 45.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.876 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.687 ' HB3' HD22 ' A' ' 110' ' ' LEU . 21.9 mmtm -55.8 -39.55 71.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 179.842 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -68.3 -46.8 69.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.013 179.747 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.17 -47.55 75.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 179.834 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -38.59 65.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.95 -47.0 75.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.794 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -55.48 -50.2 70.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.44 -40.45 81.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.201 179.951 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.664 HD11 ' HB3' ' A' ' 40' ' ' GLU . 0.5 OUTLIER -60.05 -48.61 81.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.96 179.905 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.1 -36.27 83.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.974 179.887 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -62.45 -54.38 40.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.13 -38.6 86.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.849 179.914 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.492 HG22 HD12 ' A' ' 129' ' ' ILE . 44.5 m -61.18 -49.7 76.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.249 -179.94 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -59.6 -46.92 87.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.507 HG22 HD11 ' A' ' 131' ' ' ILE . 88.4 m -58.08 -55.51 34.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.892 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.779 ' HA ' HD12 ' A' ' 131' ' ' ILE . 0.1 OUTLIER -57.97 -52.24 66.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.961 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.632 ' N ' HD23 ' A' ' 128' ' ' LEU . 61.8 mt -54.15 -35.2 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.161 179.807 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -71.25 -39.15 71.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.874 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.779 HD12 ' HA ' ' A' ' 128' ' ' LEU . 9.4 mt -63.73 -52.35 58.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -64.83 -50.09 68.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -56.65 -40.68 75.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -65.46 -50.54 64.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.447 ' O ' HD13 ' A' ' 139' ' ' LEU . 12.4 tt0 -54.67 -52.12 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.08 -30.63 50.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.078 -179.965 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -63.67 -45.16 91.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -79.23 -30.47 43.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.842 179.836 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 135' ' ' GLU . 1.8 mp . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.911 0.386 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -51.74 -49.8 61.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -52.21 -52.88 49.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.854 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.7 mp -54.81 -49.98 69.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.583 HD23 ' CE2' ' A' ' 105' ' ' TYR . 0.4 OUTLIER -52.84 -63.05 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.891 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.769 HG22 ' CE1' ' A' ' 105' ' ' TYR . 43.1 p . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.896 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.825 0.345 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -25.9 59.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.75 -26.38 5.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -179.895 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.67 -69.03 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.852 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.4 m -48.46 -45.92 37.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 37.8 mm -61.47 -50.94 78.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -61.81 -28.11 69.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -70.65 -55.34 8.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.681 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.3 pt -61.27 -36.4 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.068 -179.967 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.718 HD23 ' HB2' ' A' ' 45' ' ' ARG . 0.9 OUTLIER -67.29 -52.46 40.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.917 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -56.01 -50.26 71.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.839 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.35 -43.4 96.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 -179.82 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.5 tp -55.88 -57.78 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.43 -55.77 25.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -52.95 -45.48 67.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.857 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -56.49 -47.21 79.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.589 ' CB ' HD11 ' A' ' 38' ' ' LEU . 73.2 mt -61.53 -38.57 87.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -61.65 -60.18 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.831 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 6.6 p -56.5 -38.48 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.898 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 78.9 m -59.61 -51.0 71.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 -179.932 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.476 HD22 HD13 ' A' ' 34' ' ' ILE . 6.6 tp -63.97 -36.53 84.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -68.44 -32.18 72.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 11.5 t -74.43 -52.08 13.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 6.1 t -55.65 -28.6 56.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.964 179.951 . . . . . . . . 0 0 . 1 . 051 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.5 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.87 0.367 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 051 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 61.08 23.04 13.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 -179.901 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -103.84 170.82 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.96 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.64 -36.06 44.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.097 -179.983 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 m -68.46 -43.13 77.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.9 -50.66 70.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.1 m -61.53 -40.65 87.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.669 ' O ' HG23 ' A' ' 35' ' ' THR . . . -61.24 -53.08 47.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.999 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.87 -39.14 97.64 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.498 -179.919 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.629 HD22 HD23 ' A' ' 128' ' ' LEU . 7.8 tt -64.94 -44.72 88.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 110.943 -179.92 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.508 ' CD1' HD23 ' A' ' 184' ' ' LEU . 62.7 mt -61.26 -42.74 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.669 HG23 ' O ' ' A' ' 31' ' ' GLY . 46.4 p -63.97 -46.43 84.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -58.6 -55.48 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.712 HG22 ' CD1' ' A' ' 41' ' ' ILE . 14.7 p -59.88 -35.02 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 -179.967 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 34' ' ' ILE . 1.3 mp -60.28 -48.97 79.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -65.19 -42.6 93.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.875 179.891 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.27 -40.71 98.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.712 ' CD1' HG22 ' A' ' 37' ' ' VAL . 36.9 mt -64.06 -46.83 92.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.958 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.449 HG12 ' HD3' ' A' ' 46' ' ' LYS . 83.1 t -60.49 -45.98 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 179.828 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -42.19 79.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.8 ttt -66.64 -31.81 72.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 179.909 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -74.71 -50.49 17.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.826 -179.854 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.449 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -69.57 -28.8 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.959 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.99 -35.27 61.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 -179.952 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.513 HD12 ' HE3' ' A' ' 114' ' ' LYS . 9.8 mp -58.6 -31.23 67.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.6 m -95.98 32.28 1.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t30 58.27 26.63 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.985 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.7 37.86 85.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 179.901 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -90.73 109.59 20.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.82 -179.819 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.0 t -56.76 -28.15 60.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -68.52 -33.21 73.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.826 -179.99 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.81 -27.05 69.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.907 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.8 mtp -64.34 -49.19 72.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -110.38 32.13 5.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.824 -179.989 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -71.56 -52.23 19.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.632 ' OD2' HD11 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -121.31 26.33 8.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.845 179.984 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -74.06 -26.55 60.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 179.999 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.95 -26.31 35.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.632 HD11 ' OD2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -117.87 -38.77 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.957 -179.976 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.95 -28.45 67.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.094 179.739 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.68 -29.79 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -123.28 31.94 5.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -135.34 26.24 3.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.08 133.09 48.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -26.19 23.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 179.76 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.525 HD23 ' HE1' ' A' ' 99' ' ' TYR . 8.9 mp -64.02 160.69 45.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.634 0.73 . . . . 0.0 110.973 179.841 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.399 179.83 . . . . . . . . 0 0 . 1 . 051 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.466 HG23 ' CE2' ' A' ' 179' ' ' PHE . 65.9 mt -119.3 -35.4 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.156 179.909 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -50.11 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.9 p -54.15 -52.04 62.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.72 -50.91 62.36 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.574 179.953 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.32 -54.0 46.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -49.14 71.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -54.11 -49.88 68.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.525 ' HE1' HD23 ' A' ' 69' ' ' LEU . 22.9 m-85 -56.55 -49.12 75.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.795 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -54.18 -49.25 69.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.3 m -61.86 -36.67 81.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.761 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.788 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.9 m-85 -62.85 -64.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 -179.915 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.555 HD13 ' HA ' ' A' ' 122' ' ' GLN . 2.4 pp -54.01 -38.23 64.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.515 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.2 mt-10 -68.17 -33.74 75.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.727 ' CE1' HG22 ' A' ' 154' ' ' THR . 12.7 t80 -69.21 -52.09 31.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.959 -179.897 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.461 ' HE1' HD11 ' A' ' 110' ' ' LEU . 3.6 ppp? -67.93 -31.54 71.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.889 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.97 -28.42 69.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.824 179.99 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -60.2 -40.13 89.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.946 179.924 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -129.18 99.16 5.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.684 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.2 mt -145.42 177.91 8.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -78.28 -175.84 4.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.855 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -51.5 67.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.809 179.949 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -71.72 -48.61 45.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.862 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.684 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.7 mmtm -55.49 -32.88 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.916 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -67.18 -50.51 60.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.881 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -57.84 -43.15 85.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.5 mmpp? -70.4 -36.58 74.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.951 179.885 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.92 82.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -49.77 75.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 4.5 p -69.72 -31.61 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 -179.991 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -52.55 35.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.555 ' HA ' HD13 ' A' ' 103' ' ' LEU . 1.1 pp0? -66.18 -33.78 76.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.2 mtp85 -66.6 -53.09 38.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.619 ' O ' HD21 ' A' ' 33' ' ' LEU . 27.0 m-20 -58.16 -54.54 45.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.89 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.1 m -56.72 -44.69 81.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 -179.905 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -53.94 -53.64 50.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.949 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.565 HG22 HD11 ' A' ' 131' ' ' ILE . 98.5 m -60.91 -36.4 79.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 -179.964 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.629 HD23 HD22 ' A' ' 33' ' ' LEU . 1.1 tm? -64.29 -51.99 60.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 30.4 mt -59.54 -37.21 69.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -65.42 -45.49 83.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.88 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.565 HD11 HG22 ' A' ' 127' ' ' THR . 19.0 mt -62.55 -53.07 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.943 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -58.62 -49.98 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -57.7 -41.56 81.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -66.3 -36.73 83.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 179.957 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.58 -52.05 43.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.97 -35.71 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.08 -179.982 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -68.94 -40.26 79.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -78.34 -26.01 46.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 179.944 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.955 . . . . . . . . 0 0 . 1 . 051 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -51.37 -47.02 62.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.721 -179.908 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.69 -55.1 36.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 179.935 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.7 mp -51.76 -51.36 56.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.613 HD11 HG21 ' A' ' 168' ' ' THR . 3.9 mm? -53.57 -64.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 179.903 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.727 HG22 ' CE1' ' A' ' 105' ' ' TYR . 73.2 p . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.796 0.331 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 165' ' ' ARG . . . . . 0.437 ' O ' HD13 ' A' ' 169' ' ' ILE . 10.7 mtp180 -71.76 -26.72 62.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 1.8 m -50.61 -27.6 7.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.187 -179.895 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -69.61 -69.39 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 168' ' ' THR . . . . . 0.613 HG21 HD11 ' A' ' 153' ' ' LEU . 97.3 m -49.25 -34.25 14.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.889 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.499 HG21 HD21 ' A' ' 48' ' ' LEU . 1.6 mp -68.09 -52.37 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 170' ' ' GLN . . . . . 0.408 ' N ' HG22 ' A' ' 169' ' ' ILE . 4.2 pt20 -65.0 -25.23 67.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -54.11 9.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.788 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.6 pt -63.65 -36.52 76.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.433 HD12 HG23 ' A' ' 41' ' ' ILE . 3.1 mm? -67.8 -53.79 24.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 179.866 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -56.64 -46.15 81.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.942 179.82 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 35.8 m -61.75 -46.74 88.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.5 tp -55.17 -54.6 41.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -55.77 -55.59 30.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -52.83 -46.54 67.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.466 ' CE2' HG23 ' A' ' 92' ' ' ILE . 37.8 t80 -61.8 -40.75 96.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.891 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.448 ' HB3' HD11 ' A' ' 38' ' ' LEU . 24.6 mt -62.45 -38.32 89.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 12.5 mtpp -68.96 -57.38 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.863 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 27.4 m -54.73 -36.11 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.846 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 183' ' ' THR . . . . . 0.578 ' O ' HG22 ' A' ' 187' ' ' THR . 93.0 m -69.41 -56.94 6.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 -179.92 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.508 HD23 ' CD1' ' A' ' 34' ' ' ILE . 2.7 tm? -52.37 -37.11 55.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.952 179.973 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -76.5 -53.94 7.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.877 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 9.6 t -52.78 -52.06 58.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 183' ' ' THR . 14.6 t -62.25 -24.82 67.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 -179.928 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 25.8 mtp85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.81 -179.903 . . . . . . . . 0 0 . 1 . 052 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.2 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.821 0.344 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 052 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 63.49 42.72 6.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.912 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.0 p -101.23 164.75 11.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.195 -179.968 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.2 p -51.79 -46.42 64.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -51.49 56.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 -179.777 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -40.62 92.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.94 -54.11 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 179.949 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.2 -52.24 50.74 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.494 179.922 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.77 -40.39 94.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.509 -179.894 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.728 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.0 OUTLIER -66.72 -37.36 84.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.793 0.33 . . . . 0.0 110.932 -179.938 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.671 HG21 ' CD2' ' A' ' 184' ' ' LEU . 15.0 mm -63.99 -52.28 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.167 179.878 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.8 t -62.21 -39.65 93.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -66.4 -55.6 15.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.434 HG22 HD11 ' A' ' 41' ' ' ILE . 8.7 p -60.77 -32.42 51.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.997 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.618 ' O ' HG23 ' A' ' 42' ' ' VAL . 15.2 mt -66.81 -48.42 69.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -62.88 -42.3 99.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 179.852 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -60.96 -50.55 72.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.515 HG23 HD12 ' A' ' 173' ' ' LEU . 47.7 mt -57.32 -48.64 82.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.097 -179.975 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.629 HG12 ' HE3' ' A' ' 46' ' ' LYS . 95.8 t -55.07 -58.64 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.055 179.913 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -53.28 -40.07 64.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.458 ' O ' HD13 ' A' ' 48' ' ' LEU . 2.7 ttp -67.19 -32.19 73.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.1 ttp85 -71.01 -51.21 26.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.876 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.629 ' HE3' HG12 ' A' ' 42' ' ' VAL . 5.9 ptpt -71.01 -28.71 64.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.99 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -54.94 -40.94 70.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.916 HD23 HG22 ' A' ' 166' ' ' THR . 8.7 mp -53.85 -28.44 35.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.987 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 91.8 m -98.94 34.94 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.15 27.66 16.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.99 37.1 73.64 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -95.84 104.54 16.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.83 0.348 . . . . 0.0 110.955 -179.933 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 p -56.4 -26.77 54.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.853 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -65.31 -33.75 76.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 -179.969 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.89 -28.94 66.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.3 mmm -72.92 -31.48 64.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -110.48 26.39 10.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -102.31 -50.94 3.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -104.52 30.21 5.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 179.903 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.02 28.03 3.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.38 -32.41 4.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.82 -26.03 10.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.01 -30.34 64.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.783 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -55.91 -25.84 44.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -111.1 26.97 10.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -136.5 25.36 3.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.95 179.931 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.673 HD11 ' HE2' ' A' ' 174' ' ' LYS . 2.0 mt -120.95 -71.45 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.0 179.888 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 58.23 23.43 10.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.797 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.71 160.39 66.92 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.67 0.748 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.262 . . . . 0.0 112.363 179.83 . . . . . . . . 0 0 . 1 . 052 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.5 mptt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.778 0.323 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 052 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.2 mt 71.05 -68.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 63.5 p -50.34 -39.25 45.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.962 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.7 m -53.88 -52.47 60.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.83 -44.73 95.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -180.0 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.498 HD22 HG12 ' A' ' 129' ' ' ILE . 55.4 mt -51.83 -54.18 31.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -49.41 77.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -52.99 -51.54 61.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.418 ' CD2' HD13 ' A' ' 176' ' ' LEU . 22.2 m-85 -60.21 -43.15 96.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.823 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -53.78 -50.38 66.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.796 179.959 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.6 p -66.14 -38.83 89.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.749 -179.683 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.476 ' HB3' HD12 ' A' ' 172' ' ' ILE . 9.2 m-85 -57.41 -64.01 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.831 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.2 pp -55.77 -45.44 78.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.518 ' N ' HD12 ' A' ' 103' ' ' LEU . 3.0 mm-40 -56.53 -33.58 66.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.624 ' CE2' HD23 ' A' ' 153' ' ' LEU . 2.3 t80 -72.89 -52.32 15.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.915 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.4 ptm -62.92 -29.43 70.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.746 ' HZ2' ' HB1' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -50.42 -52.75 34.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 179.885 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.47 -19.31 46.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -124.86 78.99 1.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.794 HD22 ' HB3' ' A' ' 114' ' ' LYS . 11.2 mt -149.82 163.21 38.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -77.34 -177.06 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 179.905 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -51.2 69.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.779 179.974 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -69.59 -48.75 59.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.794 ' HB3' HD22 ' A' ' 110' ' ' LEU . 10.0 mmtm -55.92 -42.99 76.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -58.62 -48.08 82.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.845 179.881 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -50.27 73.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.924 179.824 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -63.5 -43.86 96.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.746 ' HB1' ' HZ2' ' A' ' 107' ' ' LYS . . . -54.88 -44.49 74.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 179.856 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -52.99 -49.46 66.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.56 -40.78 89.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.989 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.513 HD11 ' N ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER -62.75 -50.08 72.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.994 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.484 ' HB2' HD13 ' A' ' 103' ' ' LEU . 2.3 tm0? -57.87 -51.15 70.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.975 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -53.54 -53.61 49.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -57.32 -44.41 84.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.403 ' HA ' HD23 ' A' ' 128' ' ' LEU . 24.6 m -61.41 -45.92 92.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.885 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -60.79 -35.89 77.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.952 179.963 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.438 ' O ' HD12 ' A' ' 131' ' ' ILE . 61.4 m -67.81 -56.73 8.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.178 -179.941 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.728 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -58.21 -34.17 70.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 179.989 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.498 HG12 HD22 ' A' ' 96' ' ' LEU . 50.2 mt -71.57 -41.32 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.17 179.928 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -62.17 -44.27 96.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.801 179.838 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 127' ' ' THR . 5.8 mt -67.27 -53.47 32.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.177 179.986 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.576 ' O ' HG23 ' A' ' 136' ' ' VAL . 5.1 m-85 -59.2 -50.1 75.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -60.84 -38.1 84.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -59.7 -55.16 37.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -62.1 -52.19 64.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 132' ' ' PHE . 86.3 t -55.35 -44.12 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 -179.989 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -63.27 -40.96 98.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 179.867 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -67.41 -28.68 68.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.797 179.891 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.947 0.403 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -52.83 -45.01 67.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.44 -48.67 76.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.098 179.843 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.82 -47.86 81.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.624 HD23 ' CE2' ' A' ' 105' ' ' TYR . 1.2 mp -56.87 -63.36 1.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.858 0.361 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 052 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -51.73 -40.58 60.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 -179.976 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 166' ' ' THR . . . . . 0.916 HG22 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -53.78 -26.53 24.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 -179.977 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -69.46 -69.58 0.33 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 179.882 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 89.3 m -49.03 -44.37 41.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 -179.987 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.53 -45.59 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -63.45 -31.23 72.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -70.81 -55.49 8.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.903 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 172' ' ' ILE . . . . . 0.476 HD12 ' HB3' ' A' ' 102' ' ' TYR . 13.4 pt -58.68 -39.1 75.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 173' ' ' LEU . . . . . 0.515 HD12 HG23 ' A' ' 41' ' ' ILE . 3.5 mm? -66.87 -48.9 67.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.926 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 174' ' ' LYS . . . . . 0.673 ' HE2' HD11 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -56.36 -47.39 78.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 179.846 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.73 -43.36 99.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.418 HD13 ' CD2' ' A' ' 99' ' ' TYR . 23.6 tp -56.07 -50.02 72.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 177' ' ' GLU . . . . . 0.482 ' CD ' HG22 ' A' ' 42' ' ' VAL . 1.6 tt0 -61.09 -56.84 16.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.966 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -47.51 67.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -55.98 -49.48 73.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 3.0 mp -54.78 -52.46 62.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -52.74 -54.12 38.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.812 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 66.4 t -60.42 -39.02 79.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 92.7 m -58.14 -43.47 87.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.671 ' CD2' HG21 ' A' ' 34' ' ' ILE . 2.3 tp -69.29 -54.52 14.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.907 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -20.72 59.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.2 m -82.21 -47.95 11.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 184' ' ' LEU . 9.8 t -66.4 -26.69 67.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.15 -179.921 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.77 116.88 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 81.2 t -57.03 143.44 11.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.041 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.69 145.13 49.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -65.51 171.46 4.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.89 -36.8 1.63 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.468 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 t0 56.65 -179.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.82 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -52.85 153.96 3.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.0 t -133.91 6.92 3.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.079 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -132.86 144.92 50.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -175.76 33.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 p 53.06 -174.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.6 159.64 30.8 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.529 0.681 . . . . 0.0 111.168 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -171.34 0.47 Allowed 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -121.5 -36.1 3.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.42 157.15 18.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.6 79.54 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.43 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -77.57 -16.86 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.058 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 63.64 25.11 14.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -105.64 167.13 9.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.71 -34.88 40.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.3 p -68.74 -45.38 71.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -60.72 -51.37 69.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 31' ' ' GLY . 19.1 m -61.17 -43.24 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.419 ' N ' HG23 ' A' ' 30' ' ' VAL . . . -57.89 -52.22 53.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.67 -37.67 95.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.391 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.614 HD21 ' O ' ' A' ' 124' ' ' ASP . 1.2 tt -67.34 -34.76 78.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 110.971 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.667 HG21 ' HG ' ' A' ' 184' ' ' LEU . 17.5 mm -69.6 -49.22 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 t -63.37 -39.54 94.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.8 t-160 -65.79 -55.65 16.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.479 HG22 HD11 ' A' ' 41' ' ' ILE . 9.2 p -60.22 -32.74 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.606 ' O ' HG23 ' A' ' 42' ' ' VAL . 12.3 mt -66.28 -48.96 68.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -62.06 -43.58 98.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.457 ' HB3' HD11 ' A' ' 121' ' ' LEU . 0.7 OUTLIER -60.92 -47.85 84.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.479 HD11 HG22 ' A' ' 37' ' ' VAL . 43.6 mt -57.98 -46.49 87.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 38' ' ' LEU . 88.6 t -57.94 -54.57 30.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.13 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -59.52 -44.7 93.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.5 ttt -63.76 -31.63 72.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -51.23 34.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.809 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.2 pttt -70.66 -28.21 64.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.77 -37.64 66.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.561 HD12 ' HE3' ' A' ' 114' ' ' LYS . 9.4 mp -53.98 -32.16 53.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.0 m -95.93 32.23 1.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 t30 60.66 26.19 15.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.71 42.89 97.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -95.12 113.89 25.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.6 p -55.61 -27.09 47.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.39 -40.95 89.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.84 -38.8 92.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 65.3 mtp -58.98 -33.38 70.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -117.72 28.81 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -83.05 -62.17 1.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.56 28.84 5.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -96.36 31.91 2.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.78 -30.55 5.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.0 -38.8 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.05 -36.33 60.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.081 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -56.19 -26.25 50.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -124.45 38.91 4.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -155.71 32.28 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.7 141.69 28.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -79.94 -25.95 40.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mt -80.17 154.89 74.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.526 0.679 . . . . 0.0 110.949 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 156.32 63.84 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.343 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -147.49 139.36 24.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.542 ' HB ' HG11 ' A' ' 182' ' ' VAL . 69.4 mt -67.65 136.78 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -176.1 47.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.23 -64.81 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -168.72 176.52 5.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -108.83 31.05 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 174.14 159.22 20.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 55.8 m -82.09 -69.11 0.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 0.0 110.894 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -176.54 134.36 0.23 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.974 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -71.77 -36.76 70.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.83 165.55 22.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.75 -22.1 38.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.5 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 53.7 40.49 31.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.947 0.403 . . . . 0.0 110.939 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -91.06 140.05 30.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 55.3 64.73 1.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.52 178.63 0.54 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 65.6 mt 60.01 75.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.188 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 27.6 p -109.95 163.32 13.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 62.72 100.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.433 HD23 ' H ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -166.69 -171.77 1.95 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.995 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.433 ' H ' HD23 ' A' ' 90' ' ' LEU . 0.4 OUTLIER 54.51 49.84 17.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.793 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.3 mt -111.65 -31.07 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 41.6 m -59.97 -41.34 91.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.7 t -60.45 -51.96 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.41 -52.65 50.42 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.924 HD12 HD11 ' A' ' 129' ' ' ILE . 1.0 OUTLIER -63.26 -34.24 77.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.714 HD21 ' HD3' ' A' ' 147' ' ' PRO . 18.2 tp -65.03 -49.32 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.973 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -62.01 -52.16 65.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.662 ' HB3' HD13 ' A' ' 176' ' ' LEU . 21.0 m-85 -56.02 -44.6 78.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.448 ' HA ' HD21 ' A' ' 103' ' ' LEU . 37.9 t-80 -61.62 -41.93 98.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.7 -29.04 67.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.799 ' HB3' HD12 ' A' ' 172' ' ' ILE . 14.3 m-85 -72.37 -54.42 9.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.2 pp -61.91 -43.41 98.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.548 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.5 pp20? -67.44 -32.9 74.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.646 ' CE1' HG22 ' A' ' 154' ' ' THR . 12.1 t80 -66.87 -51.27 57.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.414 ' SD ' HG23 ' A' ' 169' ' ' ILE . 4.2 ptt? -73.25 -26.03 60.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.818 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.63 ' HA ' HD12 ' A' ' 110' ' ' LEU . 4.0 tmtt? -55.91 -41.29 74.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -59.7 -37.65 79.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -109.7 74.24 0.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.653 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.7 mt -142.02 177.97 7.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.961 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -78.17 -175.94 4.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.24 -51.28 66.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -69.37 -48.49 61.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.653 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.9 mmtm -55.87 -39.41 71.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.795 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -69.08 -45.2 70.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.45 -49.91 71.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -38.6 71.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.74 -44.74 73.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.183 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.49 -49.85 71.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.61 -41.13 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.457 HD11 ' HB3' ' A' ' 40' ' ' GLU . 2.8 mp -58.62 -50.07 75.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.06 -47.76 84.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -53.85 -53.28 54.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.614 ' O ' HD21 ' A' ' 33' ' ' LEU . 6.9 m-20 -56.35 -49.39 74.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.619 HG22 ' CD1' ' A' ' 129' ' ' ILE . 5.8 m -54.06 -50.42 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.14 -33.65 73.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.461 ' O ' HD12 ' A' ' 131' ' ' ILE . 15.2 m -64.73 -56.4 13.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -32.2 72.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.924 HD11 HD12 ' A' ' 96' ' ' LEU . 63.4 mt -71.39 -36.96 63.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -44.54 68.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.871 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.461 HD12 ' O ' ' A' ' 127' ' ' THR . 6.5 mt -66.65 -47.49 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -62.82 -50.03 72.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -59.94 -40.86 90.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -63.0 -47.53 82.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.25 -52.28 66.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.9 p -65.67 -29.13 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.07 -41.39 77.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.987 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -74.25 -40.0 62.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 37.4 tp -71.74 -58.06 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -126.62 -169.86 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.25 177.45 5.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.9 tp -175.94 146.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.05 150.14 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.27 138.66 11.96 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.58 0.705 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -86.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.628 2.219 . . . . 0.0 112.309 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 178.3 147.53 0.36 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.552 0.691 . . . . 0.0 111.133 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.714 ' HD3' HD21 ' A' ' 97' ' ' LEU . 54.8 Cg_endo -69.76 130.79 19.96 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.725 2.283 . . . . 0.0 112.388 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 12.4 tt -116.47 -22.48 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.127 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.95 -37.39 52.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -51.18 -47.21 62.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.68 -54.73 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.166 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.0 mp -51.71 -51.44 56.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.59 -64.95 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.646 HG22 ' CE1' ' A' ' 105' ' ' TYR . 61.5 p -52.12 -32.86 37.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.37 -31.28 43.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.13 -177.97 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 6.0 tp -170.49 78.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 62.92 86.7 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.794 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.06 154.47 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.24 -71.37 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -137.93 51.04 1.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.67 179.04 5.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -105.95 33.02 3.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 7.5 mp -99.48 -25.65 14.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.998 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -29.12 70.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -26.61 5.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -69.48 -68.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.7 m -48.59 -45.19 37.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.414 HG23 ' SD ' ' A' ' 106' ' ' MET . 38.6 mm -62.67 -46.49 96.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -62.44 -32.15 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -55.06 10.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.799 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.5 pt -60.45 -36.0 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.37 -52.06 44.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -56.6 -47.07 80.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 14.6 p -61.73 -46.58 89.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.662 HD13 ' HB3' ' A' ' 99' ' ' TYR . 5.6 tp -54.75 -57.95 9.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.407 ' OE2' HD22 ' A' ' 38' ' ' LEU . 2.5 tm-20 -54.7 -52.81 61.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.578 ' O ' HG23 ' A' ' 182' ' ' VAL . 59.5 mm-40 -53.39 -50.17 65.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.48 -32.85 71.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.602 ' HB3' HD21 ' A' ' 38' ' ' LEU . 6.0 mt -66.24 -61.38 2.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.23 -46.18 69.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 178' ' ' GLU . 91.2 t -59.18 -52.77 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 82.6 m -53.43 -44.01 68.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.192 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.667 ' HG ' HG21 ' A' ' 34' ' ' ILE . 3.3 tm? -61.2 -52.16 65.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -58.69 -37.01 75.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 3.1 t -64.7 -51.44 62.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 11.7 t -68.66 -24.92 64.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.116 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -83.49 -25.86 30.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.27 16.64 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.018 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.16 -179.885 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.812 0.339 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -118.46 67.54 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.3 p -113.32 145.97 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.53 89.58 2.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.818 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -131.46 179.4 6.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.36 -19.83 4.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.504 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -56.84 131.89 50.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.367 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -125.44 175.44 7.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.8 t -122.43 -36.02 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 57.49 -178.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.1 t0 63.34 27.62 15.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.799 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.3 p -144.43 128.35 17.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.244 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.25 159.62 30.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 0.0 111.104 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.79 177.8 5.23 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.746 2.297 . . . . 0.0 112.341 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -131.41 54.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 61.82 160.89 0.11 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.654 0.74 . . . . 0.0 110.785 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 102.9 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.414 ' HB ' HG22 ' A' ' 26' ' ' THR . 41.2 t -93.93 -22.2 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 62.28 23.79 14.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.98 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 30' ' ' VAL . 15.1 t -107.2 171.57 7.31 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.179 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.8 p -51.57 -43.8 62.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.156 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.9 -51.53 69.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.842 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.527 HE21 HD13 ' A' ' 33' ' ' LEU . 13.2 tm0? -61.48 -39.8 92.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 26' ' ' THR . 82.3 t -63.22 -54.14 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.696 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.1 -52.09 51.5 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.79 -37.25 93.99 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.527 HD13 HE21 ' A' ' 29' ' ' GLN . 0.6 OUTLIER -66.38 -46.9 75.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.736 0.303 . . . . 0.0 110.912 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.716 HG23 HD22 ' A' ' 180' ' ' LEU . 96.2 mt -61.27 -41.04 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 31' ' ' GLY . 69.0 p -64.51 -47.56 78.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.232 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -61.19 -55.15 35.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.568 HG22 HD11 ' A' ' 41' ' ' ILE . 8.3 p -59.25 -33.89 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.574 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.4 mt -63.89 -48.7 75.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -63.31 -42.18 98.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -45.18 95.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.568 HD11 HG22 ' A' ' 37' ' ' VAL . 29.1 mt -61.78 -46.99 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 38' ' ' LEU . 89.6 t -58.26 -44.83 88.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.68 -42.1 82.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -32.1 73.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -73.91 -50.34 20.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.442 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -69.82 -28.93 66.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -53.96 -33.81 57.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.41 -28.64 69.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.66 28.96 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.42 31.83 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.783 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 59.96 40.21 96.63 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.526 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -87.69 111.81 21.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 77.2 p -61.11 -27.22 68.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.983 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.53 -27.53 58.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 10.3 t -64.46 -34.66 78.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.5 mtp -56.95 -48.05 79.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -102.17 28.23 6.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -79.54 -56.32 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -114.22 26.97 9.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.941 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -96.35 30.35 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.76 -27.58 8.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.45 -36.38 2.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.63 -40.46 79.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -53.12 -29.68 32.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -112.17 33.39 4.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -154.96 29.98 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.82 134.01 34.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -25.77 65.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.91 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.424 HD22 ' OE1' ' A' ' 98' ' ' GLU . 1.7 mt -79.93 154.89 75.47 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.608 0.718 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 158.25 57.73 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.445 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -147.68 141.41 25.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.676 HD12 HG13 ' A' ' 182' ' ' VAL . 45.1 mt -64.15 125.8 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.193 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.3 -26.73 14.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 57.36 85.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -85.25 -26.25 26.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.8 t0 56.23 67.74 0.96 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.856 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -178.66 53.55 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.5 m -85.84 -42.11 14.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.0 110.838 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -122.4 175.3 6.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.32 173.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 55.46 27.02 9.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 168.61 135.02 1.81 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.471 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -82.47 -39.32 22.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 0.0 110.905 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.78 -50.37 69.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -55.85 125.47 21.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -142.04 -52.45 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 40.4 pt -104.42 168.69 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.093 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 14.2 p -168.08 138.66 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.3 142.06 28.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.22 -27.38 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.0 mttt 55.46 63.93 1.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.3 mt -104.97 -27.13 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.162 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.9 p -65.62 -45.16 84.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 m -53.97 -52.37 60.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.73 -51.2 57.59 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.482 HD13 ' HE2' ' A' ' 179' ' ' PHE . 0.8 OUTLIER -55.08 -49.76 70.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.799 0.333 . . . . 0.0 110.892 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 97' ' ' LEU . 3.4 mm? -57.56 -49.17 77.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.424 ' OE1' HD22 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -54.2 -49.05 70.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.673 ' HB3' HD13 ' A' ' 176' ' ' LEU . 24.0 m-85 -57.89 -48.53 79.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -54.22 -48.16 71.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t -63.12 -37.5 87.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.829 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.819 ' HB3' HD12 ' A' ' 172' ' ' ILE . 11.0 m-85 -61.17 -63.13 1.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.514 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.1 pp -55.8 -39.36 71.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.514 ' N ' HD12 ' A' ' 103' ' ' LEU . 7.9 mt-10 -63.58 -37.27 86.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.742 ' CE2' HD22 ' A' ' 153' ' ' LEU . 33.9 t80 -69.18 -45.69 69.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.996 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.46 ' HG2' HD11 ' A' ' 110' ' ' LEU . 3.5 ttp -66.17 -34.65 78.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.902 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -62.63 -25.91 68.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.98 -38.59 83.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.951 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -131.62 99.36 4.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.605 HD22 ' CB ' ' A' ' 114' ' ' LYS . 8.1 mt -149.11 175.79 11.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.06 -176.37 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -61.97 -51.11 69.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -71.08 -48.28 53.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.605 ' CB ' HD22 ' A' ' 110' ' ' LEU . 15.2 mmtm -55.91 -35.74 66.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -68.42 -52.98 26.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -46.26 68.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -71.25 -40.0 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.88 -43.39 73.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.053 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -55.67 -49.69 72.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.54 -43.23 96.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -47.46 84.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.43 ' HA ' HD13 ' A' ' 103' ' ' LEU . 39.9 tt0 -60.91 -49.58 76.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -53.72 -53.26 54.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -55.53 -49.36 72.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.583 HG22 HD12 ' A' ' 129' ' ' ILE . 22.2 m -54.68 -45.94 74.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -66.63 -30.24 70.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.503 ' O ' HD12 ' A' ' 131' ' ' ILE . 9.4 m -70.46 -56.66 6.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.138 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.601 HD22 HD21 ' A' ' 180' ' ' LEU . 2.2 pp -60.78 -37.78 83.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.583 HD12 HG22 ' A' ' 125' ' ' THR . 76.3 mt -70.57 -39.26 75.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.1 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -42.85 96.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.503 HD12 ' O ' ' A' ' 127' ' ' THR . 7.0 mt -68.28 -49.78 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.181 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.567 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.6 m-85 -62.58 -48.98 77.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -62.1 -39.71 93.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -60.98 -54.14 48.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.84 -51.96 67.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 132' ' ' PHE . 94.1 t -58.89 -35.33 55.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -69.12 -39.55 78.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.0 -33.11 70.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.818 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 18.1 tp -79.83 -58.0 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.77 -169.92 2.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.854 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -95.72 -172.97 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.474 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.58 146.46 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 179.834 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.474 ' N ' HD13 ' A' ' 142' ' ' ILE . 4.8 m -128.09 102.25 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -175.89 87.18 0.29 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.617 0.722 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.514 ' O ' HG23 ' A' ' 146' ' ' THR . 53.6 Cg_endo -69.76 -43.18 2.81 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.233 . . . . 0.0 112.36 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -176.04 159.09 1.83 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-O 121.637 0.732 . . . . 0.0 111.08 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.488 ' HD2' HG22 ' A' ' 146' ' ' THR . 53.4 Cg_endo -69.71 179.28 3.78 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.729 2.286 . . . . 0.0 112.356 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.4 tt -117.89 -16.0 8.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 16.2 p -55.62 -25.69 40.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 154' ' ' THR . 4.2 t30 -51.26 -51.02 57.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.45 -36.59 80.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 51.7 mt -61.27 -64.73 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.742 HD22 ' CE2' ' A' ' 105' ' ' TYR . 4.3 mt -53.49 -50.68 64.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 150' ' ' ASN . 67.7 p -57.95 -34.21 69.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.06 -47.14 69.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 14.0 pttm 44.58 -163.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.845 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.7 179.25 7.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -91.98 110.55 21.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.9 170.86 20.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.791 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.79 141.63 1.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 7.2 tttt 52.85 29.89 8.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.5 99.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -154.1 152.45 30.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.958 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.6 mp -125.84 53.15 1.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -29.26 68.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.71 -26.64 2.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -69.48 -68.26 0.42 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.5 m -48.49 -36.47 15.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.185 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 34.0 mm -67.62 -52.59 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -25.6 68.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -55.14 7.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.819 HD12 ' HB3' ' A' ' 102' ' ' TYR . 16.8 pt -63.13 -36.71 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.216 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.65 -52.53 37.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -56.99 -46.22 82.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.34 -47.35 86.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.673 HD13 ' HB3' ' A' ' 99' ' ' TYR . 10.8 tp -54.56 -53.3 56.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.68 -54.8 41.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -52.76 -43.06 65.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.482 ' HE2' HD13 ' A' ' 96' ' ' LEU . 32.0 t80 -61.82 -51.07 69.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.716 HD22 HG23 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -56.67 -35.75 68.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -67.6 -60.86 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.676 HG13 HD12 ' A' ' 72' ' ' ILE . 10.3 p -56.68 -33.24 39.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 93.8 m -67.65 -57.44 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.548 HD23 ' CD1' ' A' ' 34' ' ' ILE . 3.1 tm? -56.07 -37.35 69.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -67.05 -48.96 66.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -52.04 67.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.774 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.0 t -61.11 -24.88 66.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -82.92 88.04 6.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.99 16.66 16.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.906 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.837 0.351 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -138.63 86.93 2.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.7 t -86.61 146.18 6.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -125.54 144.77 50.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.753 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -115.8 174.53 5.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.94 -46.46 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.6 t0 56.35 -179.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -108.98 -176.15 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.807 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.8 t -115.54 -28.07 6.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.232 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -56.36 144.06 32.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -178.71 42.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.5 p -80.75 145.76 31.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.04 159.63 70.62 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.605 0.716 . . . . 0.0 111.143 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -171.18 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.656 2.238 . . . . 0.0 112.364 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -120.59 47.27 1.82 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.0 mtt-85 -124.94 73.85 65.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.483 0.658 . . . . 0.0 110.805 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 98.34 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.409 ' O ' HG12 ' A' ' 24' ' ' VAL . 19.2 t -91.92 -10.32 9.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 63.66 50.84 2.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.965 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.556 HG23 ' H ' ' A' ' 29' ' ' GLN . 2.1 t -108.61 159.18 16.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -51.12 -49.28 61.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.7 m -52.29 -51.44 58.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.556 ' H ' HG23 ' A' ' 26' ' ' THR . 9.0 tp60 -60.46 -38.87 85.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 26' ' ' THR . 89.2 t -62.99 -54.41 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.102 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.723 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.48 -52.22 51.5 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.501 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.11 -44.16 94.88 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.44 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.608 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.8 OUTLIER -63.45 -49.45 73.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 -179.876 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.535 ' O ' HD23 ' A' ' 38' ' ' LEU . 15.9 mm -53.91 -44.34 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.073 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 31' ' ' GLY . 30.9 p -65.43 -43.0 91.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -59.15 -55.39 35.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.701 HG22 HD11 ' A' ' 41' ' ' ILE . 8.5 p -60.24 -36.37 68.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.9 OUTLIER -59.93 -48.42 81.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.983 179.889 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -64.94 -44.5 89.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.977 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -44.91 91.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.701 HD11 HG22 ' A' ' 37' ' ' VAL . 39.0 mt -63.11 -47.35 92.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 38' ' ' LEU . 94.6 t -56.15 -45.72 80.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -42.78 91.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.7 ttt -66.64 -32.07 73.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.52 -51.27 24.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.805 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -28.64 67.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.9 -37.37 63.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.3 mt -56.04 -26.19 48.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.06 30.33 4.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 63.08 34.76 13.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.42 45.83 95.48 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.478 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -100.66 118.5 36.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.1 t -67.61 -35.88 79.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -30.49 71.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.831 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.1 t -61.57 -27.61 68.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.7 mtt -62.01 -48.45 80.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -102.6 30.77 4.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -90.43 -63.91 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.59 23.63 13.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -102.5 27.36 6.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.06 -30.74 14.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.26 -30.89 5.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.61 -41.24 66.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.045 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -53.71 -31.28 47.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -107.46 27.24 9.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -134.27 26.12 3.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.89 HD23 HD21 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -100.06 126.52 46.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.96 -29.91 28.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.89 HD21 HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -63.77 156.37 72.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.933 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 118.67 5.82 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -148.02 127.96 13.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.801 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.441 ' HB ' HG11 ' A' ' 182' ' ' VAL . 41.4 mt -51.96 143.73 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.34 -42.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -80.19 177.71 8.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -116.39 167.7 10.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -75.35 140.32 42.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.8 -86.7 0.24 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 82.5 m 56.8 66.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -107.09 32.39 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.971 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -129.04 74.97 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.44 118.29 12.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.105 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 179.83 -80.27 0.06 OUTLIER Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.426 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -69.25 166.32 18.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.947 0.403 . . . . 0.0 110.92 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -57.61 110.96 0.98 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -99.76 -58.98 1.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 57.47 65.98 1.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 24.7 mm 65.28 151.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 95.1 m -114.95 -60.2 1.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.11 116.01 23.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.938 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.89 -178.21 5.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.89 148.57 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 67.8 mt -92.51 -25.08 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.465 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -71.07 -41.81 70.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -52.4 60.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.77 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.69 -48.34 73.68 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.99 -50.18 69.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.865 0.364 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 93' ' ' SER . 4.0 mm? -60.67 -49.23 78.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -55.27 -49.94 70.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -57.46 -49.9 74.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.513 ' HA ' HD21 ' A' ' 103' ' ' LEU . 84.9 t60 -54.22 -44.44 71.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.801 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.3 t -63.82 -41.43 97.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.428 ' HB3' HD12 ' A' ' 172' ' ' ILE . 20.1 m-85 -61.82 -64.01 1.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.982 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' A' ' 100' ' ' HIS . 2.3 pp -51.77 -41.64 61.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.495 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -62.65 -39.68 94.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.653 ' CE1' HG22 ' A' ' 154' ' ' THR . 21.5 t80 -64.59 -52.03 59.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.532 ' HE2' HD11 ' A' ' 110' ' ' LEU . 19.6 ptm -65.71 -35.95 82.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.826 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -53.18 -31.4 42.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -63.67 -38.38 90.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -123.07 95.11 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 114' ' ' LYS . 11.1 mt -148.23 168.42 22.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -176.02 0.6 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -62.28 -51.16 68.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.788 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -72.28 -48.01 45.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.577 ' HB3' HD22 ' A' ' 110' ' ' LEU . 8.2 mttt -55.7 -33.35 64.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -53.3 24.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -54.71 -43.85 72.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -73.7 -32.8 64.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.62 -46.46 90.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -55.61 -49.58 72.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.99 -44.11 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.157 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.4 mp -58.67 -49.04 79.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.5 -50.06 75.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.962 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -53.99 -53.06 58.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.94 -45.15 74.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.511 HG22 HD12 ' A' ' 129' ' ' ILE . 10.2 m -56.84 -51.1 70.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -63.95 -28.83 70.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.53 ' HB ' HD11 ' A' ' 33' ' ' LEU . 33.4 m -71.27 -56.45 6.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.608 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.6 pp -61.22 -35.97 78.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.511 HD12 HG22 ' A' ' 125' ' ' THR . 88.1 mt -70.86 -42.58 77.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -63.63 -40.64 97.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 13.7 mt -68.31 -52.08 41.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.187 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.508 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.5 m-85 -62.03 -45.29 94.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.06 -39.59 94.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -62.31 -51.8 66.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.49 -52.08 67.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.814 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 132' ' ' PHE . 94.0 t -60.91 -35.93 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -42.02 91.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -70.46 -35.26 73.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.83 -30.12 56.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -163.9 162.25 23.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.08 174.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.426 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.67 144.24 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.426 ' N ' HD13 ' A' ' 142' ' ' ILE . 31.6 m -126.28 164.28 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.173 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.14 141.55 27.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.559 0.695 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -47.79 0.84 Allowed 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.646 2.23 . . . . 0.0 112.334 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.7 m 65.27 72.8 0.45 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.474 0.654 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 160.22 50.48 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.635 2.223 . . . . 0.0 112.387 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.9 tt -118.04 -14.86 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.075 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.748 ' O ' HD12 ' A' ' 153' ' ' LEU . 3.6 m -51.22 -30.65 18.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -50.71 -40.91 55.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -64.38 -35.31 80.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.5 mp -68.61 -51.7 39.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 149' ' ' SER . 1.5 mp -58.76 -51.04 71.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.653 HG22 ' CE1' ' A' ' 105' ' ' TYR . 66.5 p -62.55 -39.49 93.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -52.09 -38.33 56.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.2 126.64 38.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -165.65 90.92 0.48 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -124.65 87.38 2.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 59.76 174.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -114.12 175.56 5.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt 56.13 52.25 10.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.16 171.94 7.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -107.81 52.53 0.71 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 23.5 mt -148.74 -46.2 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 4.5 ttt-85 -68.4 -29.45 68.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.4 -26.78 5.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -69.23 -68.76 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.6 m -48.45 -44.93 35.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 37.9 mm -62.78 -45.3 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -62.28 -32.6 73.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.07 -55.12 10.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.428 HD12 ' HB3' ' A' ' 102' ' ' TYR . 23.0 pt -59.41 -35.93 61.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.79 -54.5 18.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -59.8 -49.05 79.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.588 ' CB ' HD11 ' A' ' 69' ' ' LEU . 51.9 p -59.74 -43.87 94.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.47 HD11 HD11 ' A' ' 180' ' ' LEU . 9.5 tp -58.21 -58.02 10.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.677 ' HA ' HD12 ' A' ' 180' ' ' LEU . 0.0 OUTLIER -53.14 -50.98 63.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.794 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.578 ' O ' HG23 ' A' ' 182' ' ' VAL . 80.4 mt-10 -57.59 -49.97 74.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -59.19 -32.9 70.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 177' ' ' GLU . 15.3 mt -67.93 -61.93 1.64 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -51.57 -42.22 61.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.026 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 178' ' ' GLU . 86.2 t -63.85 -47.88 88.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 99.6 m -60.08 -35.91 76.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.477 ' HG ' HG21 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -68.09 -54.62 16.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -65.15 -25.7 67.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.803 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.1 t -73.85 -49.88 22.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.6 t -70.12 -24.86 63.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.191 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -80.82 69.09 7.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -66.41 -18.01 65.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 40.8 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 -179.923 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 75.0 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.831 0.348 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -107.42 63.1 0.62 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.961 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 p -80.72 140.8 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.188 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.07 123.82 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -101.43 156.18 17.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.56 37.41 3.83 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.01 62.15 2.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.798 0.332 . . . . 0.0 110.777 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.1 t80 61.51 171.28 0.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.7 t -68.13 -27.05 66.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.198 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.07 172.0 13.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -152.8 30.72 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.2 t -176.94 163.56 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.79 159.62 57.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.673 0.749 . . . . 0.0 111.094 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -170.94 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.616 2.211 . . . . 0.0 112.359 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -126.63 29.25 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -116.65 73.93 6.16 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.644 0.735 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.81 124.44 11.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.291 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 m -102.17 -13.96 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 63.55 48.7 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.508 ' O ' HG23 ' A' ' 30' ' ' VAL . 11.5 p -110.2 165.65 11.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -51.71 -46.1 63.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.4 m -54.7 -51.47 65.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -41.26 97.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 26' ' ' THR . 94.9 t -61.56 -54.11 39.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.125 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.75 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.7 -51.75 54.84 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.99 -40.26 95.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.487 HD11 ' HB ' ' A' ' 127' ' ' THR . 1.7 tt -63.49 -43.34 97.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.752 0.31 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.531 HD13 ' HB2' ' A' ' 184' ' ' LEU . 95.6 mt -63.64 -40.84 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 31' ' ' GLY . 29.7 p -64.18 -46.12 85.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -62.01 -55.33 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.609 HG22 HD11 ' A' ' 41' ' ' ILE . 9.7 p -59.32 -33.24 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.679 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.9 mt -65.33 -48.11 74.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.1 t90 -63.49 -40.64 97.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -63.45 -45.88 88.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.609 HD11 HG22 ' A' ' 37' ' ' VAL . 29.0 mt -61.82 -43.82 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 38' ' ' LEU . 96.8 t -61.07 -50.1 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -64.88 -41.22 95.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -33.92 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.797 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -69.76 -51.32 35.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -28.87 66.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.59 -34.36 61.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.84 -25.56 67.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 65.9 m -95.97 29.8 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.987 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 63.29 31.81 15.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.86 42.14 98.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -100.79 103.71 14.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.6 p -55.16 -26.61 39.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.15 -28.12 67.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.7 t -64.26 -26.16 68.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -49.66 76.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -110.31 25.96 11.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -74.85 -60.29 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -98.16 30.91 2.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -95.85 25.97 4.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.804 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.99 -31.36 11.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.61 -37.47 2.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.09 -31.86 44.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -53.93 -28.15 35.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -121.34 25.89 9.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -137.16 25.9 2.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.524 HD22 HD12 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -97.58 -48.31 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.52 21.78 8.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.524 HD12 HD22 ' A' ' 67' ' ' LEU . 20.5 mt -84.11 159.27 60.04 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.546 0.688 . . . . 0.0 110.982 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 78.49 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.324 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -115.22 161.03 19.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.547 HD11 HG13 ' A' ' 182' ' ' VAL . 21.8 pt -104.74 163.87 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.174 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -175.71 147.99 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -99.94 -48.69 4.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 60.91 177.95 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -108.44 50.15 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.819 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.61 -96.92 0.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.43 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 52.3 m 52.08 64.45 1.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.922 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -98.62 149.18 23.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.88 132.48 53.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.8 m -77.66 -36.42 51.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.65 -46.96 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.531 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -135.73 175.44 9.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.934 0.397 . . . . 0.0 110.946 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 m120 57.85 -176.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -166.15 168.79 15.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 56.37 69.23 0.76 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 12.1 tt -158.35 144.18 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -173.53 109.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.3 mt 71.26 -68.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 59.09 -177.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.37 105.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.593 HG23 ' CZ ' ' A' ' 179' ' ' PHE . 62.1 mt -106.07 -37.0 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.091 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.512 ' O ' HD23 ' A' ' 97' ' ' LEU . 1.3 m -58.63 -37.96 77.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.2 t -53.84 -52.3 60.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.88 -50.99 55.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.425 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.908 HD21 HD11 ' A' ' 128' ' ' LEU . 1.2 tp -54.07 -47.77 71.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.884 0.373 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 93' ' ' SER . 3.9 mm? -61.72 -49.11 77.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -50.56 71.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.724 ' HB3' HD13 ' A' ' 176' ' ' LEU . 22.3 m-85 -56.86 -47.51 80.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -55.48 -48.69 74.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.822 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.0 p -62.84 -36.12 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.688 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.8 m-85 -63.25 -64.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.509 HD23 HD22 ' A' ' 176' ' ' LEU . 2.2 pp -54.12 -39.5 66.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.492 ' N ' HD12 ' A' ' 103' ' ' LEU . 3.1 mm-40 -65.31 -37.17 86.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.752 ' CE1' HG22 ' A' ' 154' ' ' THR . 8.2 t80 -67.27 -47.23 71.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.724 ' CE ' HD11 ' A' ' 110' ' ' LEU . 15.5 ptm -72.85 -25.85 61.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.697 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -53.38 -45.34 69.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -59.83 -31.83 70.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -110.63 73.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.724 HD11 ' CE ' ' A' ' 106' ' ' MET . 11.9 mt -145.16 178.04 8.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.7 -176.01 5.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -61.59 -51.1 69.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -67.75 -50.88 54.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.575 ' HB3' HD22 ' A' ' 110' ' ' LEU . 6.9 mttt -55.55 -35.84 66.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.68 -53.21 23.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.933 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -51.93 -46.15 64.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.812 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -73.1 -36.54 66.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.94 -45.7 74.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.052 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.36 -45.9 76.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.84 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 94.6 t -66.69 -33.97 66.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.551 HD11 HG13 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -66.48 -51.02 61.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.983 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -63.4 -39.79 95.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -62.31 -50.57 71.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -59.0 -49.39 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.75 HG22 HD11 ' A' ' 129' ' ' ILE . 6.6 m -55.44 -51.04 68.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -58.38 -38.46 77.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.487 ' HB ' HD11 ' A' ' 33' ' ' LEU . 86.2 m -62.13 -56.0 23.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.193 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.908 HD11 HD21 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -61.61 -30.32 70.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.75 HD11 HG22 ' A' ' 125' ' ' THR . 40.0 mt -70.41 -39.94 77.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -39.65 71.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 43.5 mt -67.17 -49.66 70.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.562 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.5 m-85 -64.76 -49.08 72.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -59.55 -41.74 90.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -62.74 -52.0 64.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -60.06 -51.86 67.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 132' ' ' PHE . 98.9 t -58.94 -54.24 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -43.68 63.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -70.03 -30.48 67.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.876 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.32 -47.82 46.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -138.32 -75.36 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.63 -173.91 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.472 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.68 146.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.472 ' N ' HD13 ' A' ' 142' ' ' ILE . 5.9 m -131.08 107.36 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -175.85 86.53 0.29 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.541 0.686 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -48.65 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.737 2.292 . . . . 0.0 112.297 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 178.95 147.54 0.39 Allowed Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.645 0.736 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.88 166.62 27.12 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 11.2 tt -117.19 -24.93 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.072 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.14 -33.37 39.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -50.86 -50.5 56.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.956 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.4 -48.7 71.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 16.8 mt -55.06 -53.3 57.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -53.58 -63.37 1.17 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.752 HG22 ' CE1' ' A' ' 105' ' ' TYR . 70.6 p -51.24 -32.88 25.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.17 -38.53 79.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -95.23 67.28 2.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.98 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.74 -46.8 51.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.16 176.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 47.5 m -143.21 29.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -134.35 163.07 30.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.69 119.09 12.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.43 35.29 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 53.65 49.36 19.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 20.2 mt -115.81 -40.0 3.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.968 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -58.24 -29.67 65.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.87 -26.39 5.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -69.62 -69.03 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.6 m -48.45 -44.62 35.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.2 mm -63.26 -47.47 92.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -63.04 -30.45 71.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 0.404 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -70.46 -55.09 9.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.688 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.4 pt -61.2 -36.48 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.21 -53.84 26.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -56.24 -45.85 79.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.4 t -60.94 -48.85 79.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.724 HD13 ' HB3' ' A' ' 99' ' ' TYR . 18.0 tp -54.29 -58.06 8.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.503 ' CD ' HG22 ' A' ' 42' ' ' VAL . 4.0 tt0 -52.69 -52.11 57.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -37.51 72.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.593 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 43.8 t80 -69.66 -31.31 69.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.448 ' HB2' HD21 ' A' ' 38' ' ' LEU . 55.7 mt -72.37 -46.21 56.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.9 ptpm? -65.19 -44.03 89.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.547 HG13 HD11 ' A' ' 72' ' ' ILE . 8.3 p -68.85 -34.63 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 8.2 m -69.4 -47.45 64.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.531 ' HB2' HD13 ' A' ' 34' ' ' ILE . 2.9 tm? -71.72 -30.4 65.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -75.0 -37.38 61.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.747 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.6 t -74.18 -50.76 17.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.062 0.458 . . . . 0.0 110.951 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 11.9 t -51.26 -30.44 17.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 7.3 mtm-85 -51.94 -67.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -179.59 -34.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.963 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 79.6 p . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.186 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.787 0.327 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -147.86 95.24 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -116.98 149.87 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.064 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.0 78.11 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.849 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.39 170.22 8.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 133.1 53.28 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.448 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -135.63 135.92 40.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.808 0.337 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -131.53 149.85 52.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.792 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 t -117.46 -26.71 6.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -52.15 142.46 16.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -166.11 28.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.3 p -150.29 178.66 8.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -56.59 159.6 6.56 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.617 0.722 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 177.17 5.85 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -125.73 28.11 6.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 63.67 153.84 0.12 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.705 0.764 . . . . 0.0 110.813 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 113.92 3.53 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.731 2.288 . . . . 0.0 112.294 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.545 HG13 HG23 ' A' ' 26' ' ' THR . 9.6 p -107.99 -20.69 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 64.14 47.18 3.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.659 ' O ' HG23 ' A' ' 30' ' ' VAL . 68.2 p -113.45 162.48 16.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.127 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.7 p -51.8 -41.9 62.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 m -60.42 -51.59 68.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -35.47 77.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 26' ' ' THR . 98.8 t -63.33 -54.6 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.71 ' O ' HG23 ' A' ' 35' ' ' THR . . . -59.72 -51.94 55.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.455 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.76 -41.76 94.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.766 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.4 OUTLIER -64.03 -49.76 71.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.712 0.292 . . . . 0.0 110.908 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.602 ' N ' HD23 ' A' ' 33' ' ' LEU . 24.0 mm -54.62 -43.38 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.256 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 31' ' ' GLY . 29.8 p -65.11 -44.09 89.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.193 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -58.63 -55.57 33.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.745 HG22 HD11 ' A' ' 41' ' ' ILE . 8.4 p -59.63 -36.5 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.168 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.1 mm? -59.77 -48.54 81.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -64.53 -42.49 95.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.931 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -45.81 92.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.745 HD11 HG22 ' A' ' 37' ' ' VAL . 32.6 mt -61.37 -48.15 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.164 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 38' ' ' LEU . 89.8 t -56.91 -51.25 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.39 -46.13 83.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.8 ttt -65.82 -31.89 73.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.2 ttp85 -72.96 -51.25 19.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -28.85 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -56.45 -31.92 64.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.58 -27.5 68.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 56.2 m -99.03 30.97 3.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 t30 63.17 26.55 15.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.64 37.58 93.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.369 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -94.48 110.53 22.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.8 p -55.39 -27.0 44.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.3 -39.31 92.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.794 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -33.92 72.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.0 mtp -58.78 -32.17 69.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -122.88 26.79 8.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -89.55 -62.0 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.21 26.41 8.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.801 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -103.19 26.27 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.62 -29.79 10.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.088 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.61 -33.9 4.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.546 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -58.99 -39.08 80.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -53.1 -33.17 51.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -113.51 26.23 10.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -141.59 25.89 1.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.558 HD11 ' HE2' ' A' ' 174' ' ' LYS . 0.2 OUTLIER -88.66 136.57 32.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.74 -25.59 18.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.765 HD21 HG22 ' A' ' 172' ' ' ILE . 10.7 mp -63.96 160.64 45.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 110.958 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 145.83 58.51 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.712 2.275 . . . . 0.0 112.323 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.03 145.29 28.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 72.6 mt -74.27 124.18 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -74.99 -74.41 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -166.59 116.69 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -127.8 156.01 43.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.28 -38.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 154.76 107.03 0.28 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.431 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 57.5 m -85.33 -30.23 23.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 61.36 -178.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -92.59 130.89 38.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.9 t -165.71 150.68 8.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.21 -101.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.454 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -103.74 83.12 2.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.21 -66.53 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.33 142.73 16.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -103.02 -70.6 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.0 tt -138.41 140.18 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 69.0 m -113.06 -55.84 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.81 100.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.41 36.26 4.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -82.24 90.82 6.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.1 mt -109.65 -35.34 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.3 p -59.32 -48.65 80.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.833 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.47 ' HA ' HD21 ' A' ' 144' ' ' LEU . 1.1 m -53.85 -52.29 60.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.38 -46.94 91.57 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.535 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.601 HD22 ' CG1' ' A' ' 129' ' ' ILE . 10.6 mt -57.83 -56.13 25.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.568 HD22 HD12 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -55.04 -48.37 73.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -52.8 -50.84 62.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -58.35 -46.07 86.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.994 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -55.36 -45.07 76.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.841 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -39.08 89.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.602 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.4 m-85 -60.38 -60.98 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.838 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 pp -57.86 -42.29 84.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -34.44 76.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.806 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.623 ' CD1' HG22 ' A' ' 154' ' ' THR . 2.8 t80 -71.64 -47.22 55.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 27.9 ttp -70.39 -26.03 63.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -30.34 71.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.934 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -60.09 -39.7 87.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -121.98 94.05 4.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.686 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.3 mt -149.06 178.02 9.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.988 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -80.01 -176.05 5.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -51.06 68.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -70.78 -47.9 57.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.767 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.686 ' CB ' HD22 ' A' ' 110' ' ' LEU . 16.6 mmtm -55.74 -38.81 70.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -67.72 -51.48 48.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.27 -48.74 65.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -38.15 73.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.88 -45.07 74.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.051 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.61 -49.87 71.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.5 -43.67 94.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.081 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.08 -49.02 79.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -58.3 -50.36 73.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -53.72 -53.15 56.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.07 -44.94 75.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.646 HG22 ' CD1' ' A' ' 129' ' ' ILE . 7.0 m -58.31 -51.0 71.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.93 -32.5 72.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.601 ' HB ' HD11 ' A' ' 33' ' ' LEU . 8.2 m -69.08 -56.47 7.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.048 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.766 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -60.3 -32.92 71.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.646 ' CD1' HG22 ' A' ' 125' ' ' THR . 75.2 mt -72.3 -41.33 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -64.63 -43.82 92.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 23.0 mt -67.7 -48.62 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.57 -50.16 70.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -60.4 -40.07 89.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -63.43 -46.48 86.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -60.38 -52.26 66.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.7 m -65.06 -31.83 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -66.47 -43.31 85.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.88 -26.01 43.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.9 tp -76.24 -46.61 27.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -138.08 -75.75 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.8 -169.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.48 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -171.55 146.12 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.48 ' N ' HD13 ' A' ' 142' ' ' ILE . 5.8 m -140.15 107.65 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.087 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.568 HD12 HD22 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -176.03 87.33 0.28 Allowed Pre-proline 0 C--N 1.327 -0.39 0 CA-C-O 121.647 0.737 . . . . 0.0 110.883 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.518 ' O ' HG23 ' A' ' 146' ' ' THR . 54.3 Cg_endo -69.69 -43.47 2.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.755 2.303 . . . . 0.0 112.344 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -175.32 159.14 2.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 111.134 -179.822 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.494 ' HD2' HG22 ' A' ' 146' ' ' THR . 53.8 Cg_endo -69.72 -172.99 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.64 2.227 . . . . 0.0 112.385 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.3 tt -132.29 -39.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 29.2 t -64.44 -25.66 68.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -50.6 -51.14 51.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.795 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.85 -47.51 74.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 22.3 mt -55.17 -55.05 35.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.473 HD11 HG21 ' A' ' 168' ' ' THR . 3.9 mm? -53.38 -62.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.623 HG22 ' CD1' ' A' ' 105' ' ' TYR . 66.3 p -52.47 -32.68 40.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.198 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -72.75 -33.85 66.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.25 -75.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.3 mt -177.04 -67.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -155.9 47.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.9 m 61.43 79.75 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.21 179.51 8.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -124.35 175.18 7.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -166.52 165.98 16.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.23 28.98 8.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.12 27.54 5.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -77.0 -29.31 55.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.23 -26.72 12.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -70.03 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' THR . . . . . 0.473 HG21 HD11 ' A' ' 153' ' ' LEU . 96.8 m -48.92 -45.45 41.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.38 -46.76 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -61.78 -32.2 72.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -69.71 -55.27 10.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.765 HG22 HD21 ' A' ' 69' ' ' LEU . 18.8 pt -60.32 -36.36 68.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.22 -52.16 44.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.558 ' HE2' HD11 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -59.82 -47.23 86.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.943 179.773 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 4.4 t -62.39 -39.42 93.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.689 HD12 HD13 ' A' ' 180' ' ' LEU . 11.1 tp -63.08 -45.64 91.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -57.12 11.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.52 ' O ' HG23 ' A' ' 182' ' ' VAL . 17.8 pt-20 -57.19 -36.73 71.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -64.1 -48.86 74.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.689 HD13 HD12 ' A' ' 176' ' ' LEU . 5.6 mp -61.02 -41.7 97.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' LYS . . . . . 0.557 ' HG2' HD11 ' A' ' 38' ' ' LEU . 3.5 mtmt -61.63 -52.04 66.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.972 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 178' ' ' GLU . 66.2 t -63.13 -33.16 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 97.7 m -68.43 -47.77 66.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.643 ' O ' HD13 ' A' ' 184' ' ' LEU . 3.4 tm? -68.85 -31.55 70.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.43 -38.29 49.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.962 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 41.5 t -76.6 -48.08 20.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.0 t -52.93 -28.11 21.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -51.71 -37.46 50.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.941 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.12 16.77 9.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 22.0 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.927 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.826 0.346 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -176.54 131.81 0.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.2 t -92.33 142.6 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -110.37 140.77 44.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -118.36 171.95 7.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.66 53.08 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.94 71.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.3 167.81 21.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.4 t -120.47 -32.87 3.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -91.38 168.16 11.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.817 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -162.64 52.71 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.4 p -79.4 169.61 17.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.55 159.57 71.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.54 0.686 . . . . 0.0 111.125 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -173.0 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.644 2.23 . . . . 0.0 112.337 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -90.55 -44.07 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.97 157.19 64.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.561 0.695 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 129.32 17.38 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.768 2.312 . . . . 0.0 112.296 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.6 t -107.1 -21.46 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 63.56 26.44 14.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.95 168.39 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -32.87 37.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.9 p -68.27 -43.77 77.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.69 -50.85 70.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.7 m -62.16 -40.89 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 35' ' ' THR . . . -59.96 -53.02 49.32 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.508 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.41 -38.98 97.21 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.738 HD21 ' O ' ' A' ' 124' ' ' ASP . 2.4 tt -64.87 -44.19 90.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.772 0.32 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.577 HD13 HD22 ' A' ' 184' ' ' LEU . 34.6 mt -62.03 -43.91 98.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 31' ' ' GLY . 59.3 p -62.97 -45.94 90.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -59.04 -55.41 35.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.715 HG22 ' CD1' ' A' ' 41' ' ' ILE . 13.3 p -60.36 -33.01 52.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.771 HD11 ' HB3' ' A' ' 180' ' ' LEU . 1.5 mp -62.37 -48.66 78.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -65.73 -42.67 90.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.41 -47.25 86.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.804 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.715 ' CD1' HG22 ' A' ' 37' ' ' VAL . 48.2 mt -60.27 -47.97 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 38' ' ' LEU . 92.7 t -56.12 -53.47 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -58.15 -45.56 87.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.1 ttt -63.96 -31.65 72.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -51.3 41.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -71.49 -28.5 63.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.34 -36.9 66.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.567 HD12 ' HE3' ' A' ' 114' ' ' LYS . 7.1 mp -56.9 -32.92 66.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.0 m -95.97 36.68 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.2 t30 58.09 27.31 14.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.2 39.62 98.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -94.92 113.83 25.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.72 -28.4 47.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.789 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.68 -46.55 88.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -26.78 46.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 32.6 mtp -73.82 -42.14 61.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -109.09 34.73 3.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.22 -59.29 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.41 28.54 8.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -96.29 26.35 4.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.93 -25.55 8.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.051 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.29 -37.11 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.23 -40.21 81.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -56.43 -28.91 60.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.805 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -114.94 26.83 9.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -145.8 26.17 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.447 HD11 ' HE3' ' A' ' 174' ' ' LYS . 0.3 OUTLIER -84.69 136.54 33.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.953 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.27 -25.95 19.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.565 HD21 HG22 ' A' ' 172' ' ' ILE . 8.8 mp -64.12 160.68 46.34 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.687 0.756 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 142.99 49.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.28 160.79 42.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 71.4 mt -85.03 141.83 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -128.03 -72.93 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? 58.01 -176.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -130.87 -61.82 0.92 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.33 -173.93 3.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.849 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.21 27.06 14.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.552 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 33.6 m 53.27 51.18 16.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.929 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -60.6 151.51 28.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.971 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -68.67 -176.32 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.452 HG21 ' HB2' ' A' ' 85' ' ' GLN . 3.0 t -178.99 151.03 0.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -89.29 53.25 3.84 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -155.27 -74.09 0.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.866 0.365 . . . . 0.0 110.935 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -179.27 115.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.452 ' HB2' HG21 ' A' ' 81' ' ' THR . 3.2 tm0? -176.66 120.66 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -179.25 177.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 27.3 mm 64.05 106.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 58.6 m -126.21 87.93 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.77 164.04 26.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -176.96 -64.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.15 76.25 1.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.669 HG23 ' CZ ' ' A' ' 179' ' ' PHE . 77.6 mt -125.35 -37.57 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -40.56 74.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.06 -52.35 61.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.3 -50.92 58.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.557 HD13 ' HE2' ' A' ' 179' ' ' PHE . 0.9 OUTLIER -55.2 -50.49 69.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.86 0.362 . . . . 0.0 110.883 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.84 -49.17 77.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -55.62 -49.56 72.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -56.52 -50.21 72.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -54.2 -47.42 72.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -36.35 83.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.749 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.7 m-85 -64.57 -64.46 0.87 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.919 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 122' ' ' GLN . 1.6 pp -52.56 -42.22 64.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.456 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.6 mm-40 -64.81 -37.67 88.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.786 ' CD1' HG22 ' A' ' 154' ' ' THR . 2.8 t80 -70.05 -49.37 51.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 32.2 ttp -68.25 -27.96 66.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -28.08 68.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -59.72 -36.84 77.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -129.07 98.16 4.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.657 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.7 mt -148.9 177.88 9.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -78.5 -176.04 4.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.7 -51.25 67.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -70.9 -48.11 55.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.657 ' CB ' HD22 ' A' ' 110' ' ' LEU . 19.7 mmtm -55.68 -37.22 68.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -68.35 -50.77 50.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -53.12 -47.45 68.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -72.11 -38.11 69.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.82 -45.51 74.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -55.57 -43.21 75.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 63.8 t -67.73 -35.99 74.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.2 -51.12 65.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.475 ' HA ' HD13 ' A' ' 103' ' ' LEU . 13.0 pt20 -63.32 -43.97 96.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -57.15 -53.11 61.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.738 ' O ' HD21 ' A' ' 33' ' ' LEU . 56.4 m-20 -57.24 -53.76 54.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.786 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.6 m -55.23 -46.15 76.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -54.96 -49.17 72.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.409 ' HB ' HD11 ' A' ' 33' ' ' LEU . 4.6 m -59.47 -51.51 69.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.143 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.625 HD23 ' N ' ' A' ' 129' ' ' ILE . 0.1 OUTLIER -56.3 -52.21 65.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.625 ' N ' HD23 ' A' ' 128' ' ' LEU . 67.8 mt -57.54 -37.24 57.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -62.72 -48.31 79.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 69.3 mt -63.0 -53.0 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -58.92 -50.19 74.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.793 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -58.14 -38.02 75.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -63.83 -49.82 71.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -58.53 -52.3 66.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.3 m -63.88 -32.15 55.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -65.84 -43.39 88.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -76.09 -28.77 57.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.94 -3.79 43.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 66.01 31.53 9.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.791 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.7 64.2 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.5 tp -145.35 143.18 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 21.8 m -123.0 -174.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.123 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.751 HD12 ' CG2' ' A' ' 146' ' ' THR . 0.1 OUTLIER -124.24 96.59 41.63 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.585 0.707 . . . . 0.0 110.85 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.89 -36.64 10.1 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.696 2.264 . . . . 0.0 112.288 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.751 ' CG2' HD12 ' A' ' 144' ' ' LEU . 49.6 p 47.41 75.84 0.62 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 111.185 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 146.4 60.77 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.777 2.318 . . . . 0.0 112.386 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.2 tt -118.46 -13.88 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.11 -44.1 52.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -51.8 -50.95 59.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.816 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -51.82 -48.72 63.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.7 mp -57.85 -48.22 80.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.587 HD23 ' CE2' ' A' ' 105' ' ' TYR . 0.4 OUTLIER -55.04 -63.0 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.786 HG22 ' CD1' ' A' ' 105' ' ' TYR . 48.5 p -53.75 -34.42 58.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -67.04 -30.28 70.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.0 174.5 8.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.88 -52.0 0.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -157.6 47.26 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.5 t -76.43 -51.04 12.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -74.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.931 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.11 -66.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -179.19 -38.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.808 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 13.5 p-90 -135.14 35.06 3.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.24 26.21 6.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.997 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 27.7 ptt-85 -81.85 -26.3 34.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 4.3 m -52.3 -26.64 12.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -69.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.962 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.8 m -48.87 -45.6 41.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.29 -46.91 95.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -60.49 -33.41 72.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -69.5 -55.24 10.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.749 HD12 ' HB3' ' A' ' 102' ' ' TYR . 20.1 pt -60.81 -35.72 66.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.211 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 18.1 mt -67.14 -54.27 22.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.936 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.447 ' HE3' HD11 ' A' ' 67' ' ' LEU . 5.1 tttp -56.42 -48.31 77.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.29 -42.66 99.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.1 tp -57.55 -52.32 65.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -58.93 -56.9 16.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.11 -47.39 68.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.669 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 35.6 t80 -55.83 -51.56 67.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.771 ' HB3' HD11 ' A' ' 38' ' ' LEU . 1.9 tp -54.35 -48.84 71.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 181' ' ' LYS . . . . . 0.56 ' HG2' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -55.15 -60.82 2.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.19 -46.55 67.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 92.6 m -52.94 -50.21 64.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.156 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.577 HD22 HD13 ' A' ' 34' ' ' ILE . 5.3 tp -61.28 -41.68 97.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -63.9 -30.92 71.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 42.0 t -74.32 -52.16 13.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.808 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.3 t -59.94 -32.88 71.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.169 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -58.95 -177.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.803 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 63.29 16.81 9.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.118 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.918 0.39 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -106.11 59.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 p -109.16 147.73 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.07 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -90.54 100.37 13.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.7 177.31 8.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.64 -19.83 4.43 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.505 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -56.63 137.2 54.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.57 -170.85 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.3 t -121.1 -33.13 3.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.27 -179.51 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -171.35 40.55 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.9 p -107.19 165.33 11.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.74 159.54 72.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.6 0.714 . . . . 0.0 111.085 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -171.14 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.707 2.272 . . . . 0.0 112.299 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -78.75 -34.79 45.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.54 157.12 68.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.502 0.668 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 89.97 0.51 Allowed 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.742 2.295 . . . . 0.0 112.413 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.0 -13.37 15.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 63.23 26.01 15.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.959 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.62 176.43 6.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.169 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.98 -33.11 66.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 p -67.8 -42.21 81.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -50.8 68.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.7 m -62.29 -39.7 85.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.177 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.622 ' O ' HG23 ' A' ' 35' ' ' THR . . . -61.93 -52.54 49.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.525 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.5 -36.61 93.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.547 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.705 HD21 ' O ' ' A' ' 124' ' ' ASP . 1.9 tt -66.32 -50.12 64.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.811 0.339 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.513 HD13 ' HB2' ' A' ' 184' ' ' LEU . 97.5 mt -59.49 -42.25 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 31' ' ' GLY . 69.2 p -63.55 -46.8 84.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -58.06 -55.43 34.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.824 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.715 HG22 ' CD1' ' A' ' 41' ' ' ILE . 13.5 p -60.05 -34.2 55.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.051 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.4 mp -61.25 -48.59 80.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -65.05 -43.34 92.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.426 ' HB3' HD11 ' A' ' 121' ' ' LEU . 1.6 tm-20 -61.6 -44.2 97.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.812 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.715 ' CD1' HG22 ' A' ' 37' ' ' VAL . 44.8 mt -62.15 -46.61 96.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 38' ' ' LEU . 88.1 t -58.78 -47.38 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.07 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -66.87 -41.37 87.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.2 ttt -66.54 -31.85 72.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.955 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.04 -51.09 16.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.474 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -69.31 -28.73 66.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -53.88 -32.74 54.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.3 mt -58.37 -31.58 67.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.02 29.73 2.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 61.82 28.58 17.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.55 39.09 68.62 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.592 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -93.06 106.73 18.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 110.927 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.77 -27.36 50.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.81 -27.13 67.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -26.14 65.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 10.4 mtt -66.4 -51.8 53.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -97.89 31.65 2.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -78.84 -48.61 14.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.47 ' OD1' HD21 ' A' ' 62' ' ' LEU . 6.6 t0 -144.48 35.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -96.13 26.36 4.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.804 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.52 -31.09 9.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.109 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.47 HD21 ' OD1' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -117.01 -28.12 6.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.024 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.528 ' HB1' ' CZ ' ' A' ' 171' ' ' PHE . . . -51.68 -47.28 63.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -60.52 -26.27 66.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -107.11 25.9 10.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -143.15 25.06 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.815 HD22 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -98.37 178.48 5.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.16 -19.0 10.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.815 HD11 HD22 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -84.6 158.47 59.87 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.591 0.71 . . . . 0.0 110.911 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 138.58 38.26 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -147.57 115.33 6.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.826 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.437 HD13 HG13 ' A' ' 182' ' ' VAL . 2.7 mp -51.82 119.11 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -134.1 -44.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.98 96.1 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -135.3 -44.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -53.38 170.8 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.781 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.42 31.24 10.71 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 19.7 p -123.72 38.32 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -159.83 135.6 8.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 173.04 178.73 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.8 m 61.89 30.35 18.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.189 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 59.8 -113.82 5.69 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 59.33 175.59 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.904 0.383 . . . . 0.0 110.939 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -132.41 53.38 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -148.8 127.88 12.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -147.45 125.34 11.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 21.5 pt -121.07 42.02 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.174 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.7 m -97.11 104.27 16.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.2 mt -69.67 171.66 8.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.982 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -161.64 119.08 2.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -119.4 88.1 2.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.569 HG23 ' CZ ' ' A' ' 179' ' ' PHE . 61.8 mt -107.08 -37.54 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.089 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 t -52.52 -41.36 63.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 t -54.03 -52.31 61.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.69 -51.35 54.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.445 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.72 HD21 HD11 ' A' ' 128' ' ' LEU . 0.8 OUTLIER -53.45 -49.82 66.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.837 0.351 . . . . 0.0 110.98 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.567 HD22 HD12 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -59.71 -49.23 78.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -56.97 -49.65 75.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.93 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.575 ' CB ' HD13 ' A' ' 176' ' ' LEU . 20.4 m-85 -56.02 -47.46 77.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -56.71 -48.44 77.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.779 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.88 -33.0 74.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.637 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.4 m-85 -67.22 -64.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 104' ' ' GLU . 1.7 pp -52.78 -39.23 62.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.97 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.5 tt0 -66.23 -42.71 88.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.752 ' CD1' HG22 ' A' ' 154' ' ' THR . 4.6 t80 -60.32 -47.06 87.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.947 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.474 ' SD ' HG23 ' A' ' 169' ' ' ILE . 6.1 ptm -74.7 -25.96 59.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.563 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -64.7 -37.81 88.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.73 -24.18 63.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -129.55 83.76 2.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.639 HD22 ' CB ' ' A' ' 114' ' ' LYS . 7.2 mt -147.78 177.97 8.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -76.83 -175.98 3.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -63.11 -51.21 67.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -69.08 -48.78 61.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.639 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.1 mmtm -55.76 -41.09 73.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -67.42 -44.66 78.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -55.84 -49.98 71.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.803 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.8 mmtm -71.86 -38.54 70.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.81 -44.76 74.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -55.6 -49.69 72.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.83 -41.05 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.157 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 40' ' ' GLU . 1.9 mp -58.91 -49.93 75.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.35 -48.19 82.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -53.92 -53.26 55.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.705 ' O ' HD21 ' A' ' 33' ' ' LEU . 76.8 m-20 -55.8 -49.1 74.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.959 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.689 HG22 ' CD1' ' A' ' 129' ' ' ILE . 5.9 m -55.64 -48.78 74.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -60.84 -35.25 76.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.523 ' O ' HD12 ' A' ' 131' ' ' ILE . 5.7 m -64.84 -56.46 13.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.72 HD11 HD21 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -61.35 -31.33 71.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.945 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.689 ' CD1' HG22 ' A' ' 125' ' ' THR . 48.7 mt -71.86 -38.3 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.071 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.45 -42.66 74.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.523 HD12 ' O ' ' A' ' 127' ' ' THR . 6.0 mt -67.48 -49.81 67.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.578 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.4 m-85 -61.99 -50.13 73.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -60.84 -39.75 90.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -61.39 -53.32 58.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -60.55 -52.35 65.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 132' ' ' PHE . 97.8 t -57.04 -55.07 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.163 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -52.9 -43.03 65.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -69.99 -28.49 65.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.841 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.42 -55.39 5.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -128.79 -75.19 0.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.48 -169.71 0.15 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.99 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.2 tp -176.34 145.36 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.079 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 143' ' ' VAL . 5.4 m -136.66 104.93 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.567 HD12 HD22 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -175.67 86.47 0.3 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.559 0.695 . . . . 0.0 110.904 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.523 ' O ' HG23 ' A' ' 146' ' ' THR . 54.2 Cg_endo -69.74 -42.79 3.12 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.634 2.223 . . . . 0.0 112.363 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -175.14 159.54 2.22 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.637 0.732 . . . . 0.0 111.121 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.477 ' HD2' HG22 ' A' ' 146' ' ' THR . 53.2 Cg_endo -69.81 -176.3 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.625 2.216 . . . . 0.0 112.332 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.5 tt -129.74 -38.7 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 16.4 m -57.9 -27.26 63.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -51.09 -50.31 58.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.38 -48.74 71.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.5 mt -55.6 -51.68 66.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.82 -63.77 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.988 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.752 HG22 ' CD1' ' A' ' 105' ' ' TYR . 58.0 p -53.34 -32.69 50.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.16 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -70.65 -33.46 70.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.99 154.47 23.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 14.7 mt -133.61 -52.2 0.87 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.991 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.49 71.45 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.8 t -145.07 -60.07 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.07 -32.33 72.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.963 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.27 110.71 16.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -100.11 -31.41 11.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -54.18 -71.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.2 mt -177.21 146.57 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -28.19 67.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 3.1 m -50.77 -26.59 5.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -69.32 -69.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.8 m -48.47 -45.0 36.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.474 HG23 ' SD ' ' A' ' 106' ' ' MET . 39.4 mm -63.01 -45.59 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.048 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.6 -30.69 71.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 0.528 ' CZ ' ' HB1' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -71.18 -55.26 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.637 HD12 ' HB3' ' A' ' 102' ' ' TYR . 13.0 pt -59.13 -39.51 78.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.593 HD12 HG23 ' A' ' 41' ' ' ILE . 3.5 mm? -67.21 -48.52 67.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -44.5 95.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 22.3 m -62.76 -44.04 97.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.575 HD13 ' CB ' ' A' ' 99' ' ' TYR . 17.8 tp -60.4 -47.49 85.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -59.59 -57.19 14.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -59.23 -30.94 68.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.569 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 53.4 t80 -74.92 -30.87 61.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.533 ' CB ' HD11 ' A' ' 38' ' ' LEU . 46.5 mt -74.88 -47.26 31.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 181' ' ' LYS . . . . . 0.449 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -67.99 -39.51 83.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 179' ' ' PHE . 5.7 p -70.57 -35.51 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.227 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 22.6 m -75.23 -34.02 61.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.513 ' HB2' HD13 ' A' ' 34' ' ' ILE . 2.8 tm? -75.99 -35.3 59.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -33.19 40.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 23.6 m -77.36 -49.57 14.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.069 0.462 . . . . 0.0 110.964 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.0 t -51.71 -29.67 19.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.178 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 -52.85 106.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -115.71 16.67 16.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 13.9 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.175 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -140.88 67.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.2 t -127.21 135.43 63.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -89.02 87.41 7.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -86.99 171.72 10.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -103.38 28.03 17.4 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.431 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.5 t70 52.17 57.43 6.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.854 0.359 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 55.12 -175.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.2 t -102.66 -26.49 13.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -112.0 -175.03 2.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -119.55 33.64 5.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.0 p -99.38 167.41 10.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.205 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.11 159.67 58.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.55 0.69 . . . . 0.0 111.134 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -170.94 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.712 2.275 . . . . 0.0 112.351 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -80.48 -39.32 28.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -125.65 155.3 72.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.528 0.68 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 110.78 2.63 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 m -97.09 -15.97 7.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 63.48 41.24 7.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.013 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.46 ' O ' HG23 ' A' ' 30' ' ' VAL . 8.3 p -95.58 161.47 14.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -51.91 -47.78 64.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.38 -51.2 60.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -36.56 78.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 26' ' ' THR . 73.7 t -63.68 -54.38 32.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.708 ' O ' HG23 ' A' ' 35' ' ' THR . . . -58.4 -52.1 54.74 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.513 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.06 -43.8 94.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.506 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.766 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.5 OUTLIER -63.14 -49.5 74.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.743 0.306 . . . . 0.0 110.889 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.083 HG21 HD13 ' A' ' 184' ' ' LEU . 11.5 mm -54.05 -44.58 63.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 31' ' ' GLY . 30.5 p -65.12 -43.16 92.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -58.56 -55.45 34.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.704 HG22 HD11 ' A' ' 41' ' ' ILE . 8.1 p -59.97 -35.55 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.102 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.713 HD11 ' HG2' ' A' ' 181' ' ' LYS . 0.3 OUTLIER -60.17 -48.63 80.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -65.78 -42.62 90.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.544 ' OE2' HG11 ' A' ' 120' ' ' VAL . 2.3 mt-10 -59.7 -46.43 89.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.704 HD11 HG22 ' A' ' 37' ' ' VAL . 36.7 mt -62.9 -47.09 94.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.092 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 38' ' ' LEU . 98.6 t -57.82 -41.7 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.084 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.37 -43.71 69.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.412 ' SD ' HD11 ' A' ' 173' ' ' LEU . 1.8 ttt -65.73 -31.8 73.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -74.81 -50.71 16.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -68.74 -28.82 67.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -54.72 -38.09 66.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.9 mt -55.94 -26.55 48.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.38 33.16 4.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 58.79 37.06 25.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.05 43.29 93.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.567 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -91.69 120.29 32.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.4 p -63.41 -33.45 75.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.816 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -45.7 91.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.801 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.02 -29.95 32.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.7 mtp -61.26 -37.92 84.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.75 26.71 9.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -85.43 -60.78 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.95 26.45 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -103.42 28.82 6.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.55 -30.93 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.69 -32.26 4.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.34 -37.83 57.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.041 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -53.98 -29.2 42.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -117.15 27.07 9.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -146.55 30.07 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.838 HD22 HD12 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -103.45 -48.87 3.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.26 23.83 9.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.838 HD12 HD22 ' A' ' 67' ' ' LEU . 20.3 mt -83.99 159.25 60.42 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.648 0.737 . . . . 0.0 110.947 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.86 79.25 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.64 2.226 . . . . 0.0 112.346 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -108.01 160.73 15.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.6 mt -64.76 138.88 22.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -168.86 49.96 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.449 ' HB2' HD11 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -115.83 100.97 8.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.44 114.31 27.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.817 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -170.05 -179.65 3.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -103.52 95.73 1.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.78 28.92 7.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 110.926 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -142.25 36.83 1.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.77 36.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.9 t -163.87 162.92 23.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -144.88 -104.26 0.44 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.447 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.7 t80 62.93 90.44 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.9 0.381 . . . . 0.0 110.996 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 54.98 55.62 7.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.33 175.44 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.84 154.61 21.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.837 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.1 pt -99.86 27.26 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.082 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.43 125.08 29.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -136.12 -43.17 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.523 HD23 ' CG1' ' A' ' 92' ' ' ILE . 1.1 tp 60.67 171.27 0.09 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -126.36 53.6 1.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.536 HG23 ' CZ ' ' A' ' 179' ' ' PHE . 61.7 mt -74.68 -40.56 47.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.4 t -53.63 -37.09 62.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.3 t -53.92 -52.46 60.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.69 -49.88 61.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.913 HD21 HD11 ' A' ' 128' ' ' LEU . 1.2 tp -55.29 -46.83 76.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 mp -61.86 -48.98 78.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -51.4 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -57.4 -48.24 79.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.469 ' HA ' HD21 ' A' ' 103' ' ' LEU . 36.5 t-80 -54.25 -45.71 72.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.1 m -63.81 -41.0 97.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.403 ' HB3' HD12 ' A' ' 172' ' ' ILE . 19.4 m-85 -62.09 -64.51 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.469 HD21 ' HA ' ' A' ' 100' ' ' HIS . 2.5 pp -52.35 -40.14 61.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.431 ' N ' HD12 ' A' ' 103' ' ' LEU . 3.3 mm-40 -64.67 -37.77 88.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.942 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.656 ' CD1' HG22 ' A' ' 154' ' ' THR . 2.7 t80 -65.12 -49.25 70.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.027 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.529 ' HE2' HD11 ' A' ' 110' ' ' LEU . 9.4 ptm -68.38 -30.4 69.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.84 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.679 ' HA ' HD12 ' A' ' 110' ' ' LEU . 7.1 tmtt? -54.17 -36.6 63.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.977 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -45.16 93.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -105.76 82.49 1.8 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 107' ' ' LYS . 11.0 mt -145.82 175.72 10.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.007 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.0 -176.04 5.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.09 -51.06 69.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -48.18 63.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.598 ' HB3' HD22 ' A' ' 110' ' ' LEU . 21.7 mmtm -55.91 -40.01 72.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -51.98 45.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.825 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.54 -46.24 63.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -73.17 -36.58 66.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.8 77.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -55.68 -41.32 73.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.544 HG11 ' OE2' ' A' ' 40' ' ' GLU . 91.7 t -71.02 -35.72 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -51.94 42.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -64.86 -35.25 80.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -65.26 -49.97 67.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.797 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -60.72 -46.68 89.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.678 HG22 HD11 ' A' ' 129' ' ' ILE . 5.7 m -58.02 -48.84 78.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.256 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -58.51 -42.03 86.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.44 ' HB ' HD11 ' A' ' 33' ' ' LEU . 6.7 m -60.54 -55.35 34.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.065 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.913 HD11 HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -60.55 -30.59 69.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.678 HD11 HG22 ' A' ' 125' ' ' THR . 40.1 mt -71.2 -37.9 68.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.14 -40.63 71.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 85.7 mt -67.78 -48.64 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.452 ' O ' HG23 ' A' ' 136' ' ' VAL . 4.2 m-85 -64.57 -48.05 76.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -61.3 -40.9 95.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -62.45 -51.27 68.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -57.4 -51.88 67.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 132' ' ' PHE . 94.3 t -61.02 -49.95 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -51.91 -44.9 64.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.023 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -68.71 -37.23 79.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -34.37 77.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -157.41 -75.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -179.43 -169.75 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.4 tp -170.68 143.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 18.8 m -114.77 -173.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.045 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 145' ' ' PRO . 0.2 OUTLIER 63.94 86.93 0.13 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.649 0.738 . . . . 0.0 110.937 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 144' ' ' LEU . 53.0 Cg_endo -69.85 -41.9 3.77 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.618 2.212 . . . . 0.0 112.335 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -160.29 159.15 26.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.535 0.683 . . . . 0.0 111.175 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.73 166.53 27.23 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.615 2.21 . . . . 0.0 112.37 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 15.2 tt -117.36 -24.48 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -22.74 66.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -50.07 -48.22 53.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.771 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.63 -45.63 81.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 20.3 mt -57.82 -52.42 65.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.586 HD11 HG21 ' A' ' 168' ' ' THR . 3.9 mm? -54.51 -62.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.656 HG22 ' CD1' ' A' ' 105' ' ' TYR . 65.9 p -51.9 -34.06 39.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -43.35 77.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -76.89 130.22 37.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -173.2 126.93 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 58.7 55.76 4.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 9.3 m -117.21 -36.83 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -170.23 149.49 3.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -128.25 118.57 23.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -173.88 50.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.811 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 63.3 m95 60.08 43.95 13.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.8 mp -99.81 -33.51 10.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -47.95 66.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.32 -26.83 13.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -69.17 -70.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' THR . . . . . 0.586 HG21 HD11 ' A' ' 153' ' ' LEU . 10.6 m -48.95 -44.03 40.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.207 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.18 -45.88 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.186 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -63.04 -30.04 71.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.76 -55.38 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.403 HD12 ' HB3' ' A' ' 102' ' ' TYR . 17.6 pt -58.07 -38.77 69.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.07 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.412 HD11 ' SD ' ' A' ' 44' ' ' MET . 3.6 mm? -68.0 -50.15 57.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.509 ' HE3' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -58.44 -52.17 66.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.824 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 55.9 p -60.07 -42.74 95.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.573 HD12 HD13 ' A' ' 180' ' ' LEU . 13.1 tp -55.98 -54.01 49.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -55.32 36.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.94 -49.69 65.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.536 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 54.6 t80 -53.62 -53.19 55.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.573 HD13 HD12 ' A' ' 176' ' ' LEU . 6.6 mp -55.38 -40.93 71.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 181' ' ' LYS . . . . . 0.713 ' HG2' HD11 ' A' ' 38' ' ' LEU . 10.7 mtmt -58.78 -62.55 1.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 6.1 p -57.8 -38.76 67.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 60.6 m -55.21 -52.22 64.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 1.083 HD13 HG21 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -64.69 -44.34 90.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.967 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -59.01 -29.45 67.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 7.1 t -82.53 -50.13 9.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.608 HG22 ' HA ' ' A' ' 184' ' ' LEU . 6.4 t -66.37 -16.35 64.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.072 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -83.79 -54.39 4.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 63.07 16.75 9.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 40.7 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.824 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.781 0.324 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 62.98 75.14 0.41 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.9 t -111.61 137.34 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -113.76 70.79 0.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 55.48 -178.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.62 36.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -110.19 122.74 48.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.844 0.355 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.71 159.36 42.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.507 HG23 ' HG3' ' A' ' 16' ' ' GLU . 4.8 t -67.04 -31.61 72.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.206 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.507 ' HG3' HG23 ' A' ' 15' ' ' THR . 25.4 mt-10 -127.06 -177.55 4.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -140.02 26.05 2.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.5 p 47.18 90.53 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.164 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.27 159.63 2.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.519 0.676 . . . . 0.0 111.124 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 177.05 5.99 Favored 'Trans proline' 0 C--N 1.34 0.1 0 C-N-CA 122.7 2.266 . . . . 0.0 112.296 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -155.06 53.3 0.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 61.7 160.83 0.11 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.561 0.696 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 78.52 0.98 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.662 2.242 . . . . 0.0 112.369 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.405 HG23 ' H ' ' A' ' 26' ' ' THR . 18.8 m -82.82 -16.89 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 63.51 36.73 10.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.657 ' O ' HG23 ' A' ' 30' ' ' VAL . 21.7 p -109.98 165.85 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 p -58.43 -40.28 82.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m -60.29 -51.65 68.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -62.11 -41.81 98.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.762 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 26' ' ' THR . 91.4 t -61.2 -54.34 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.718 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.15 -51.96 52.44 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.25 -40.94 94.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.543 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.514 HD11 ' HB ' ' A' ' 127' ' ' THR . 1.4 tt -64.38 -49.8 70.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.549 ' O ' HD23 ' A' ' 38' ' ' LEU . 26.2 mm -55.44 -42.96 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.151 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.718 HG23 ' O ' ' A' ' 31' ' ' GLY . 31.3 p -65.35 -44.23 88.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -57.76 -55.67 31.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.841 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.737 HG22 HD11 ' A' ' 41' ' ' ILE . 7.8 p -60.08 -36.85 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.621 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -59.04 -48.4 81.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -65.5 -42.07 92.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -61.87 -41.12 97.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.737 HD11 HG22 ' A' ' 37' ' ' VAL . 33.0 mt -66.17 -46.79 86.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.179 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 38' ' ' LEU . 87.6 t -58.14 -48.12 85.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.263 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -66.5 -41.72 88.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.426 ' O ' HD13 ' A' ' 48' ' ' LEU . 3.1 ttp -65.91 -32.14 73.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -72.9 -51.14 19.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.421 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -69.42 -28.86 66.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.93 -38.23 67.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 44' ' ' MET . 9.2 mp -61.29 -26.34 67.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 m -96.23 27.39 3.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t30 62.52 34.23 15.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.41 41.9 98.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.482 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -100.39 105.05 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.5 p -57.82 -26.46 62.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.81 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.8 -29.17 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.65 -28.03 69.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.1 mtp -58.49 -43.97 89.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -116.81 26.03 10.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -74.09 -60.43 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.8 23.33 13.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.506 ' HA ' ' HB3' ' A' ' 63' ' ' ALA . 6.4 t70 -76.21 -27.34 56.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.33 -29.73 25.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.13 -31.62 7.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.506 ' HB3' ' HA ' ' A' ' 60' ' ' ASP . . . -55.0 -28.4 51.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.074 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.55 -27.02 56.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -111.59 26.2 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -137.76 27.28 2.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 mt -103.64 -67.32 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 58.18 22.62 9.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.979 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mp -84.16 160.78 56.73 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.526 0.679 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 82.03 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -120.63 149.92 41.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.4 mt -56.33 143.08 10.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.62 155.82 33.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.23 176.62 9.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.1 m120 62.97 77.73 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.03 166.04 24.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 176.96 -31.99 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.44 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.99 141.38 58.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.796 0.332 . . . . 0.0 110.839 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -109.86 175.85 5.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -101.97 34.87 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.942 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -30.16 67.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.0 -122.79 30.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.556 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 59.78 26.54 15.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.899 0.38 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 57.15 92.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.61 ' HG3' HG22 ' A' ' 87' ' ' ILE . 6.1 pt20 -125.99 -39.58 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 52.25 35.6 17.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.61 HG22 ' HG3' ' A' ' 85' ' ' GLN . 17.2 tt -102.97 -25.45 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.153 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 80.5 m -104.74 146.59 28.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.9 mt -119.36 141.23 49.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.64 99.64 3.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.35 79.63 5.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.8 mt -95.6 -29.68 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.402 ' HB3' HD23 ' A' ' 144' ' ' LEU . 1.4 m -71.0 -45.5 63.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -52.42 60.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.28 -49.77 68.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.531 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.416 HD23 HG12 ' A' ' 129' ' ' ILE . 1.3 mp -53.68 -47.06 70.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.918 0.39 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.539 ' CD2' HD21 ' A' ' 144' ' ' LEU . 3.1 mm? -61.96 -49.38 76.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.3 -53.37 56.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.734 ' HB3' HD13 ' A' ' 176' ' ' LEU . 24.7 m-85 -55.58 -47.16 76.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.987 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -54.56 -47.48 73.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -38.81 91.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.791 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.2 m-85 -61.33 -63.59 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 pp -55.14 -36.87 66.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.928 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -65.98 -36.97 84.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -68.77 -52.03 34.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.738 ' HE1' HD11 ' A' ' 110' ' ' LEU . 4.6 ppp? -66.89 -28.09 68.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.834 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -63.49 -28.62 70.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.79 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -35.65 81.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -128.5 98.17 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.738 HD11 ' HE1' ' A' ' 106' ' ' MET . 6.6 mt -148.8 177.96 9.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -75.15 -176.03 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -64.04 -51.22 65.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.9 -47.1 48.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.597 ' HB3' HD22 ' A' ' 110' ' ' LEU . 8.4 mttt -55.68 -34.18 64.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -68.8 -53.1 23.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.53 -45.07 69.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -72.24 -39.02 68.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.93 -46.4 74.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -55.66 -44.1 76.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 90.5 t -67.26 -34.19 67.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.582 HD21 HG12 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -66.3 -50.8 62.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -63.27 -41.82 99.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -60.31 -53.13 61.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -57.23 -46.26 83.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.561 HG22 ' CD1' ' A' ' 129' ' ' ILE . 22.2 m -56.47 -51.13 69.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.98 -34.67 73.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.514 ' HB ' HD11 ' A' ' 33' ' ' LEU . 11.1 m -64.63 -56.15 15.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.116 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.406 HD22 ' CD1' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -62.65 -31.38 72.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.561 ' CD1' HG22 ' A' ' 125' ' ' THR . 67.9 mt -71.17 -38.03 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.076 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.42 -42.22 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.1 mt -66.8 -47.94 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -64.89 -50.05 68.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -59.4 -40.69 87.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -63.49 -49.45 73.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -57.21 -52.07 66.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.3 -28.06 42.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.165 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -69.15 -40.71 78.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.49 -41.73 54.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -57.99 4.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.84 -169.72 2.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -111.5 145.14 39.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 142' ' ' ILE . 6.7 tp -177.0 125.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.27 150.02 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.539 HD21 ' CD2' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -137.31 155.33 75.77 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.62 0.724 . . . . 0.0 110.921 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.522 ' O ' HG23 ' A' ' 146' ' ' THR . 53.1 Cg_endo -69.81 -86.55 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.683 2.255 . . . . 0.0 112.306 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -175.38 159.63 2.13 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.538 0.685 . . . . 0.0 111.149 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.479 ' HD2' HG22 ' A' ' 146' ' ' THR . 52.9 Cg_endo -69.9 156.32 63.26 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.736 2.291 . . . . 0.0 112.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 21.0 tt -116.56 -20.53 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.177 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.415 ' HA ' HD12 ' A' ' 152' ' ' LEU . 3.3 m -51.86 -33.32 35.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -51.85 -51.09 59.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.07 81.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 149' ' ' SER . 48.1 mt -60.77 -62.67 1.69 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.789 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.51 -51.27 65.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 46.9 p -58.06 -33.1 68.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -70.66 -34.28 71.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -72.71 -45.35 59.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.02 139.5 58.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.942 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -169.26 -61.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.4 m -157.44 41.28 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.935 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.19 154.77 31.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.45 -73.34 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.832 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 60.17 176.42 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -95.22 39.35 1.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.9 tt -104.9 -25.52 12.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -59.41 -30.18 68.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.93 -27.21 12.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -69.75 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.2 m -48.9 -45.35 41.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.53 -47.83 91.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -61.35 -32.04 71.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.51 -55.19 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.791 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.8 pt -61.17 -35.84 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -67.24 -50.95 58.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -58.27 -47.33 83.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 10.5 t -61.14 -46.52 90.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.734 HD13 ' HB3' ' A' ' 99' ' ' TYR . 18.5 tp -56.05 -51.36 68.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.67 -57.06 14.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 182' ' ' VAL . 7.5 mt-10 -53.28 -50.04 65.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -57.03 -44.22 82.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 38.8 mt -57.9 -49.81 75.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' LYS . . . . . 0.528 ' CG ' HD11 ' A' ' 38' ' ' LEU . 5.6 mtmp? -57.47 -53.88 53.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 178' ' ' GLU . 65.0 t -55.2 -37.39 43.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.022 0.439 . . . . 0.0 111.249 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 30.5 m -70.29 -38.15 74.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.623 ' O ' HD13 ' A' ' 184' ' ' LEU . 2.6 tm? -66.76 -38.54 86.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -81.27 -28.23 34.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 7.7 m -78.17 -41.62 34.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.802 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.0 t -65.39 -30.22 71.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -85.37 135.57 33.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -103.89 -17.79 14.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.205 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.4 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.805 0.335 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.01 99.45 2.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.6 p -59.5 149.38 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -115.46 148.11 39.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.26 -179.57 4.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.78 19.95 5.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.455 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -59.49 129.63 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.91 0.386 . . . . 0.0 110.808 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -136.45 163.26 30.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.7 t -117.69 -27.97 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 63.14 161.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.16 41.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.7 p 52.83 -173.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -112.59 159.57 33.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 111.153 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -171.13 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -96.38 -31.83 12.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.961 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.3 mmm-85 -125.59 155.34 72.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.59 0.71 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 81.64 0.81 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.737 2.291 . . . . 0.0 112.324 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -86.6 -14.23 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 63.6 51.46 2.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.521 HG23 ' H ' ' A' ' 29' ' ' GLN . 2.0 t -108.95 158.99 17.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.137 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 p -51.44 -48.38 62.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -51.57 55.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.521 ' H ' HG23 ' A' ' 26' ' ' THR . 1.6 tm0? -60.18 -39.87 87.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 26' ' ' THR . 91.5 t -64.03 -54.09 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.688 ' O ' HG23 ' A' ' 35' ' ' THR . . . -54.72 -51.86 49.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.64 -38.79 97.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.532 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.65 -43.56 89.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.502 ' CD1' HD22 ' A' ' 184' ' ' LEU . 85.1 mt -64.28 -40.95 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 31' ' ' GLY . 73.1 p -64.31 -47.1 80.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.232 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -61.47 -55.24 33.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.802 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.595 HG22 HD11 ' A' ' 41' ' ' ILE . 7.7 p -59.5 -33.7 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.662 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.9 mt -64.2 -48.46 75.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -63.23 -44.11 96.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.64 -47.13 86.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.595 HD11 HG22 ' A' ' 37' ' ' VAL . 31.9 mt -60.09 -48.93 86.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.052 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 38' ' ' LEU . 92.3 t -54.69 -53.26 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.71 -40.28 83.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.3 tpt -65.52 -32.03 73.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.98 -48.99 41.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -70.13 -28.29 65.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -53.93 -44.69 70.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.458 HD21 HG21 ' A' ' 169' ' ' ILE . 9.1 mp -58.65 -25.94 63.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.834 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.9 m -95.81 26.09 4.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t30 63.01 37.87 11.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.58 27.68 27.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.443 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -84.5 107.99 17.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.921 0.391 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.7 p -54.97 -26.83 39.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.78 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.05 -44.93 94.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.6 t -53.68 -28.21 32.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.5 mtp -62.47 -41.3 98.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -123.73 38.27 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -90.92 -72.17 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -107.24 32.79 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.87 26.1 4.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.6 -30.86 14.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.06 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.01 -33.78 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.516 ' HB1' ' CE1' ' A' ' 171' ' ' PHE . . . -61.5 -38.7 88.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -54.4 -27.57 37.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -119.23 30.86 6.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 -139.34 24.19 2.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.522 HD23 ' CD2' ' A' ' 171' ' ' PHE . 1.3 mp -90.81 -34.21 15.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.63 22.06 9.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mp -84.09 160.67 57.15 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.678 0.751 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 78.47 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.27 . . . . 0.0 112.317 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -110.01 160.9 16.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.8 mt -76.33 140.5 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -160.3 37.53 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -150.16 70.67 1.04 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.823 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -108.44 60.98 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.975 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -122.09 167.66 12.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.65 101.79 1.33 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.453 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.57 115.77 1.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 30.9 t80 62.83 162.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 58.15 -179.9 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.2 m 56.14 75.32 0.34 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.138 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.47 -24.34 29.67 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 30.8 t80 62.22 46.53 6.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.932 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.73 146.74 43.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.56 164.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -162.67 26.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 mt -116.06 114.11 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.55 109.4 14.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.76 145.91 51.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.58 94.62 4.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -105.28 72.22 0.97 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.8 mt -104.87 -26.01 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -50.22 36.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.9 m -55.96 -52.31 64.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.87 -51.11 60.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 mp -54.61 -48.57 72.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.328 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 145' ' ' PRO . 0.1 OUTLIER -56.38 -49.15 75.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -55.27 -52.21 64.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -55.39 -44.22 75.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.475 ' HA ' HD21 ' A' ' 103' ' ' LEU . 21.9 t-80 -59.95 -42.55 94.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.9 m -69.82 -29.37 66.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.764 ' HB3' HD12 ' A' ' 172' ' ' ILE . 14.7 m-85 -72.57 -52.67 14.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.563 HD13 ' HA ' ' A' ' 122' ' ' GLN . 2.3 pp -63.46 -42.98 98.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.548 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.9 pp20? -67.88 -33.16 74.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.59 ' CE1' HG22 ' A' ' 154' ' ' THR . 27.6 t80 -67.54 -50.83 56.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.416 ' HG2' HD11 ' A' ' 110' ' ' LEU . 11.4 ttp -70.59 -36.3 73.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.413 ' HA ' HD12 ' A' ' 110' ' ' LEU . 4.0 tmtt? -51.6 -36.04 44.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -59.9 -38.52 82.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -123.71 95.78 4.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.591 HD13 ' HB3' ' A' ' 114' ' ' LYS . 10.5 mt -149.01 173.13 13.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -73.23 -175.94 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -51.33 68.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.803 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -71.92 -48.65 43.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.591 ' HB3' HD13 ' A' ' 110' ' ' LEU . 7.2 mttt -55.64 -32.15 62.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -66.71 -53.09 37.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.25 -42.43 81.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -72.67 -31.51 65.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.91 87.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.144 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -61.95 -50.45 72.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.435 HG23 HH21 ' A' ' 123' ' ' ARG . 7.2 p -64.83 -36.12 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -50.44 71.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.563 ' HA ' HD13 ' A' ' 103' ' ' LEU . 0.7 OUTLIER -61.97 -48.69 79.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.435 HH21 HG23 ' A' ' 120' ' ' VAL . 41.6 ttp180 -53.95 -51.76 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.87 -51.01 70.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.4 m -56.92 -48.08 79.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -54.74 -47.18 74.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.9 m -60.23 -49.63 76.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.102 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.619 HD23 ' N ' ' A' ' 129' ' ' ILE . 0.1 OUTLIER -58.89 -51.81 68.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.619 ' N ' HD23 ' A' ' 128' ' ' LEU . 63.1 mt -57.8 -36.49 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -65.89 -47.07 76.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.5 mt -61.83 -51.85 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -61.35 -50.0 74.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -56.22 -39.54 72.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -64.87 -54.94 23.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -48.5 63.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.4 t -69.13 -32.89 55.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -69.3 -27.73 65.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -84.57 -46.04 11.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.6 mt -94.57 20.46 8.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 179.72 -169.42 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -157.32 103.39 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 142' ' ' ILE . 6.9 tp -151.39 123.77 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 48.7 t -148.68 146.86 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.62 85.67 0.3 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.528 0.68 . . . . 0.0 110.823 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.447 ' HA ' HD22 ' A' ' 97' ' ' LEU . 54.8 Cg_endo -69.75 -86.03 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.658 2.239 . . . . 0.0 112.412 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 27.4 m 62.75 67.67 1.09 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.566 0.698 . . . . 0.0 111.107 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 98.4 0.68 Allowed 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.407 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -122.9 -35.44 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.2 m -54.71 -47.15 74.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -51.9 -51.0 59.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.31 -53.68 47.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.8 mp -51.63 -53.07 42.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.86 -64.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.59 HG22 ' CE1' ' A' ' 105' ' ' TYR . 63.1 p -51.59 -32.83 30.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -67.28 -38.01 84.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -86.71 82.54 7.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.08 179.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -104.85 -73.85 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.76 167.1 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 58.02 179.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 59.13 27.72 16.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -179.33 129.82 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -95.82 32.88 1.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.953 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.7 -27.21 11.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.949 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -31.98 48.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' THR . . . . . 0.447 HG23 ' HB3' ' A' ' 48' ' ' LEU . 2.6 m -51.86 -27.0 11.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -69.54 -69.96 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.4 m -48.82 -45.87 41.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.458 HG21 HD21 ' A' ' 48' ' ' LEU . 1.7 mp -60.85 -49.21 85.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -59.77 -31.0 69.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 0.522 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -70.64 -55.19 9.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.764 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.6 pt -61.62 -36.71 75.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.17 -53.12 33.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -56.58 -46.23 80.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.839 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -49.53 77.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.78 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.4 tp -53.89 -55.87 22.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -52.8 -55.77 20.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.55 ' O ' HG23 ' A' ' 182' ' ' VAL . 3.3 mm-40 -52.92 -38.54 61.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -63.01 -50.49 70.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 22.3 mt -56.41 -48.3 77.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -57.84 -58.85 6.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 178' ' ' GLU . 60.6 t -54.6 -48.45 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 97.5 m -51.68 -51.37 56.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.502 HD22 ' CD1' ' A' ' 34' ' ' ILE . 6.1 tp -61.13 -38.99 88.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -66.01 -30.38 70.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 39.0 t -75.35 -52.08 11.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.817 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.402 HG22 ' HA ' ' A' ' 184' ' ' LEU . 5.3 t -58.05 -34.57 70.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.099 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -66.32 90.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.85 -19.75 10.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.185 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.882 0.372 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -174.19 127.34 0.36 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.9 t -113.79 141.19 30.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -132.16 138.05 47.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -90.08 -179.62 5.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.9 34.43 5.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.546 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -118.02 155.54 30.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -119.09 156.87 28.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.0 t -121.62 -33.55 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.168 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 62.54 163.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -178.91 89.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -64.93 167.3 7.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.9 159.67 35.11 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.682 0.753 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -170.85 0.42 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.625 2.217 . . . . 0.0 112.382 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -85.65 -25.65 26.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.3 ptt-85 -136.67 156.51 76.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.596 0.712 . . . . 0.0 110.82 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 85.59 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.632 2.222 . . . . 0.0 112.403 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.405 ' O ' HG12 ' A' ' 24' ' ' VAL . 19.9 t -78.51 -10.85 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 63.65 24.55 13.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.964 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.33 166.41 13.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -51.69 -45.93 63.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.84 -51.32 57.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -39.95 90.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 80.9 t -61.9 -54.22 37.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.0 -52.2 52.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.35 -38.33 93.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.524 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.756 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.1 OUTLIER -66.05 -39.97 90.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.767 0.317 . . . . 0.0 110.964 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.627 HG22 HD12 ' A' ' 38' ' ' LEU . 25.5 mm -63.91 -53.21 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 t -60.15 -37.83 81.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.17 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -66.97 -55.69 13.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.565 HG22 HD11 ' A' ' 41' ' ' ILE . 7.8 p -62.13 -32.39 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.661 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.7 mt -66.62 -48.3 69.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -63.73 -41.3 98.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -62.5 -47.93 81.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.565 HD11 HG22 ' A' ' 37' ' ' VAL . 37.7 mt -60.41 -45.75 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.065 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 38' ' ' LEU . 92.2 t -59.49 -45.91 93.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -65.83 -44.65 84.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.438 ' HE1' ' HB2' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -65.77 -31.83 73.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -75.29 -49.5 19.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.784 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -29.01 66.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -60.86 -30.08 69.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.4 mt -58.09 -34.22 69.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 54.8 m -96.69 37.31 1.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 56.77 27.65 13.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.57 43.33 77.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -100.35 108.22 20.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 110.915 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.3 p -56.26 -34.08 66.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -30.76 70.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -25.94 67.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.783 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.4 mtp -66.07 -49.76 66.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -113.67 37.06 3.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -71.01 -47.73 57.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.841 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.81 31.08 0.96 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.799 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.406 ' HA ' ' HB3' ' A' ' 63' ' ' ALA . 12.5 p-10 -70.98 -23.16 62.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.09 19.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.51 HD12 ' N ' ' A' ' 63' ' ' ALA . 4.1 pp -112.52 -37.72 4.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.51 ' N ' HD12 ' A' ' 62' ' ' LEU . . . -61.89 -37.87 86.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -56.75 -26.0 56.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -109.56 27.65 9.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -132.47 24.07 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mp -102.25 -42.24 6.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 58.13 24.04 10.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.487 HD23 ' HE1' ' A' ' 99' ' ' TYR . 6.6 mp -83.89 160.61 57.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 0.0 110.922 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 78.69 1.01 Allowed 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.739 2.293 . . . . 0.0 112.305 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -119.12 147.46 44.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.4 mt -57.62 142.06 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.31 149.15 25.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.954 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -106.15 99.76 9.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -171.89 52.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.25 -179.81 0.15 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 151.68 -152.83 24.53 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 51.6 m -73.66 132.19 42.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.909 0.385 . . . . 0.0 110.808 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.79 -172.83 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -54.21 159.05 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.807 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 60.0 m 52.46 84.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -164.02 67.76 0.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -68.54 -59.9 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 110.918 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -86.17 172.31 10.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 59.29 87.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.53 97.82 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -123.52 44.59 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.131 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 6.5 p -140.65 153.47 46.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.29 173.09 11.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.2 pp -174.57 139.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -126.26 64.88 1.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.583 HG23 ' CZ ' ' A' ' 179' ' ' PHE . 78.5 mt -62.22 -23.98 33.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.22 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.413 ' O ' HD12 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -66.98 -41.66 86.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.747 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.85 -52.41 60.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.802 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.04 -51.21 46.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.511 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.42 -48.87 65.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.856 0.36 . . . . 0.0 110.94 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.583 HD21 HD11 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -62.7 -49.07 76.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 179.879 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -56.12 -56.95 14.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.724 ' HB3' HD13 ' A' ' 176' ' ' LEU . 22.5 m-85 -53.87 -46.14 71.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -55.3 -47.45 75.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -36.69 84.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.749 ' HB3' HD12 ' A' ' 172' ' ' ILE . 28.5 m-85 -62.57 -63.21 1.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.1 pp -55.12 -42.58 73.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.971 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.55 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.1 mt-10 -60.47 -40.65 91.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.779 ' CD1' HG22 ' A' ' 154' ' ' THR . 3.3 t80 -65.35 -52.02 56.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.449 ' HG2' HD11 ' A' ' 110' ' ' LEU . 3.6 ttp -65.26 -27.58 68.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -68.44 -25.97 65.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -60.31 -36.96 79.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -136.73 102.66 4.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.785 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.687 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.1 mt -149.09 166.91 27.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -60.01 -175.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.67 -51.21 63.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -71.97 -47.26 53.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.687 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.7 mmtm -55.53 -36.25 66.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -68.49 -51.03 47.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -53.63 -46.45 70.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -72.14 -39.63 68.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.438 ' HB2' ' HE1' ' A' ' 44' ' ' MET . . . -54.91 -42.94 72.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -55.72 -49.45 73.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.02 -41.42 90.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.184 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.529 HD21 HG12 ' A' ' 41' ' ' ILE . 0.5 OUTLIER -59.67 -48.88 79.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -60.53 -49.59 76.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.81 -50.88 65.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -58.25 -45.0 88.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.539 HG22 HD12 ' A' ' 129' ' ' ILE . 13.6 m -56.33 -51.11 69.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -64.62 -31.25 72.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.406 ' O ' HD12 ' A' ' 131' ' ' ILE . 60.4 m -70.4 -55.71 8.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.756 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.4 pp -61.36 -35.38 77.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.539 HD12 HG22 ' A' ' 125' ' ' THR . 80.2 mt -71.89 -40.15 68.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.164 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.4 t-80 -65.4 -42.79 92.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.406 HD12 ' O ' ' A' ' 127' ' ' THR . 9.4 mt -68.3 -47.72 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -64.85 -50.01 68.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -60.48 -40.77 92.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -63.29 -48.22 79.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -58.73 -52.16 66.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.7 p -65.63 -28.84 45.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -69.07 -41.61 77.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -74.68 -37.97 62.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.3 tp -72.27 -54.08 10.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -135.0 -169.64 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -173.13 1.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.829 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.8 tp -172.62 146.85 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 20.7 m -113.29 -174.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.708 HD12 HG22 ' A' ' 146' ' ' THR . 0.1 OUTLIER -143.37 93.98 6.29 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.619 0.723 . . . . 0.0 110.912 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.444 ' C ' HG23 ' A' ' 146' ' ' THR . 53.2 Cg_endo -69.84 -35.21 12.82 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.708 HG22 HD12 ' A' ' 144' ' ' LEU . 1.2 p 62.69 154.94 0.12 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.625 0.726 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 146.67 60.9 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.685 2.257 . . . . 0.0 112.363 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.84 -35.59 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.173 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.19 -27.09 30.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.832 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -51.6 -50.91 59.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -51.92 -51.24 58.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.3 mp -55.79 -49.6 72.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.652 HD23 ' CE2' ' A' ' 105' ' ' TYR . 0.6 OUTLIER -53.58 -63.14 1.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.779 HG22 ' CD1' ' A' ' 105' ' ' TYR . 45.0 p -51.59 -35.92 43.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.61 -35.18 75.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.63 100.82 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.5 mt -95.35 -178.15 4.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.835 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 56.27 80.78 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.6 t -65.75 114.29 4.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -113.83 103.5 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 3.7 tttt 61.28 178.81 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.978 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.69 33.74 2.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -102.26 -33.03 9.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 8.8 mt -82.63 -27.06 31.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -34.6 71.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 26.0 m -52.18 -26.56 11.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -69.56 -69.79 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.5 m -48.99 -45.51 42.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.421 ' CG2' HD12 ' A' ' 173' ' ' LEU . 1.6 mp -61.32 -47.69 92.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -61.59 -31.66 71.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 0.482 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -69.74 -55.11 10.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.749 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.4 pt -61.05 -36.18 70.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.421 HD12 ' CG2' ' A' ' 169' ' ' ILE . 9.1 mt -67.42 -50.27 60.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -58.41 -47.21 84.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -45.92 91.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.834 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.724 HD13 ' HB3' ' A' ' 99' ' ' TYR . 20.5 tp -55.6 -58.09 9.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.545 ' CD ' HG22 ' A' ' 42' ' ' VAL . 3.3 tt0 -54.31 -53.12 58.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -53.17 -49.18 67.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.583 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 67.2 t80 -64.04 -28.66 69.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.566 ' HB3' HD21 ' A' ' 38' ' ' LEU . 1.1 tp -69.55 -65.69 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -41.45 69.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 38.1 t -63.29 -52.47 58.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 26.7 m -56.69 -39.71 74.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.627 ' HG ' HG21 ' A' ' 34' ' ' ILE . 3.2 tm? -64.16 -55.65 20.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -63.06 -25.53 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 8.4 t -72.52 -48.2 42.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 184' ' ' LEU . 9.0 t -69.57 -25.02 63.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.123 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -86.28 162.15 18.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -59.88 -20.85 59.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.106 -179.898 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.835 0.35 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -111.04 79.58 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.2 t -84.86 146.55 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.149 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.82 105.81 16.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 55.47 -178.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.776 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.58 -41.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.8 t0 56.52 -179.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -111.95 170.16 8.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.3 t -123.0 -34.85 3.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.136 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.29 -178.2 4.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -152.4 26.18 0.6 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.0 p -116.57 146.9 42.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.038 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.77 159.61 35.13 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 121.514 0.673 . . . . 0.0 111.219 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -175.44 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.634 2.223 . . . . 0.0 112.275 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.66 -43.98 5.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 -142.79 154.92 63.08 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.603 0.716 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 88.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.627 2.218 . . . . 0.0 112.348 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -82.85 -11.77 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 63.62 24.4 13.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.453 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -99.35 168.08 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.3 p -51.57 -45.3 63.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.5 p -54.79 -51.63 65.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -61.09 -41.46 96.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 26' ' ' THR . 93.1 t -61.68 -54.28 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.698 ' O ' HG23 ' A' ' 35' ' ' THR . . . -55.78 -52.0 51.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.487 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.35 94.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.551 HD11 ' HB ' ' A' ' 127' ' ' THR . 0.9 OUTLIER -62.97 -48.16 80.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.33 . . . . 0.0 110.903 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.586 HG21 ' CD2' ' A' ' 184' ' ' LEU . 6.2 mm -55.73 -43.86 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.053 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 31' ' ' GLY . 28.9 p -65.23 -43.06 92.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.062 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -59.41 -55.22 37.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.719 HG22 HD11 ' A' ' 41' ' ' ILE . 8.7 p -59.93 -36.02 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.059 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.665 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -60.74 -48.28 82.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.989 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -65.1 -41.61 94.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -62.16 -45.37 93.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.719 HD11 HG22 ' A' ' 37' ' ' VAL . 36.8 mt -62.69 -46.76 95.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 38' ' ' LEU . 87.4 t -58.51 -46.56 89.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -67.07 -43.2 83.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -31.96 73.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -51.24 21.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.48 -28.89 66.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.87 -33.81 70.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.502 HD23 ' HE3' ' A' ' 114' ' ' LYS . 19.8 mt -55.75 -38.03 69.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.901 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -94.83 37.99 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 58.67 32.4 22.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.981 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.4 36.62 91.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -92.27 109.89 21.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 64.2 p -57.29 -37.36 72.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.53 -34.1 66.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.08 -25.88 67.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 43.0 mtp -70.58 -41.92 71.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -112.48 38.46 2.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.976 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.27 -61.52 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.76 23.13 14.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -83.5 -26.24 30.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.68 -56.31 23.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.08 -39.13 56.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.52 -32.2 62.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -56.04 -26.19 47.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -128.5 35.62 4.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -151.17 35.72 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.79 142.88 33.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.05 -23.56 21.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.833 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mt -77.65 154.54 81.16 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.6 0.714 . . . . 0.0 110.989 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 141.2 44.64 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.666 2.244 . . . . 0.0 112.278 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -140.64 157.55 45.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.781 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 56.8 mt -90.45 135.91 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.04 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -117.01 65.26 0.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.16 -75.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -171.55 164.1 6.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -102.53 -64.74 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.58 113.43 0.66 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.522 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 19.9 m -138.85 102.26 4.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -171.75 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -76.03 -32.07 59.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.93 138.7 34.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -145.85 30.25 1.67 Allowed Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.516 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 52.17 39.22 26.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.935 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 57.66 68.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.1 -72.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 56.99 86.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 12.6 pt -116.85 -36.83 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 31.0 m 51.95 42.67 30.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.5 tp 72.41 -67.63 0.26 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.3 98.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -135.67 52.47 2.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.966 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 80.6 mt -95.81 -23.9 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.7 t -71.07 -40.23 71.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.0 t -53.76 -52.35 60.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.95 -48.44 60.53 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.22 -54.66 32.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 110.843 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.802 HD22 ' HG2' ' A' ' 145' ' ' PRO . 0.6 OUTLIER -60.27 -49.17 78.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -53.55 -56.29 18.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.403 ' HB3' HD13 ' A' ' 176' ' ' LEU . 21.3 m-85 -54.5 -46.46 73.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.82 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -54.22 -47.32 72.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 p -63.57 -39.11 93.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.612 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.7 m-85 -60.91 -64.55 0.92 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 pp -54.19 -40.94 68.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.89 -31.92 73.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.751 ' CD1' HG22 ' A' ' 154' ' ' THR . 4.9 t80 -70.64 -49.77 43.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.7 ptm -72.94 -25.85 61.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.459 ' HA ' HD12 ' A' ' 110' ' ' LEU . 1.7 tmtm? -64.49 -30.57 71.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.788 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -60.08 -43.57 95.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -117.33 91.76 3.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.684 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.0 mt -146.83 178.11 8.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -78.8 -176.04 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -63.85 -51.06 66.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -69.49 -48.44 60.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.684 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.0 mmtm -55.75 -39.77 71.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -68.06 -49.76 59.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.95 -47.81 64.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -38.35 74.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.42 -43.99 75.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -55.68 -39.49 71.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 99.4 t -72.59 -38.55 59.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.459 HD11 HG13 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -66.06 -51.24 59.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.949 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -63.66 -44.37 94.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -57.63 -52.88 63.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.782 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -57.2 -47.62 80.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.636 HG22 ' CD1' ' A' ' 129' ' ' ILE . 23.3 m -53.89 -50.19 66.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -62.15 -34.48 76.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.551 ' HB ' HD11 ' A' ' 33' ' ' LEU . 20.5 m -65.78 -56.22 13.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.502 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -61.88 -32.84 73.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.636 ' CD1' HG22 ' A' ' 125' ' ' THR . 67.4 mt -71.27 -37.81 67.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.109 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.23 -40.76 74.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 65.7 mt -68.02 -50.08 62.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.537 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.5 m-85 -62.78 -48.55 78.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -62.37 -39.2 92.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -61.74 -53.72 52.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -59.02 -51.64 69.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 132' ' ' PHE . 85.2 t -60.35 -35.14 60.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -67.38 -41.49 84.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -71.31 -33.06 69.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.808 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.32 -31.52 43.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -162.96 167.97 21.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.772 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -66.1 -179.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.437 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.62 144.48 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.437 ' N ' HD13 ' A' ' 142' ' ' ILE . 6.4 m -115.59 145.68 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.99 141.72 75.26 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.607 0.718 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.802 ' HG2' HD22 ' A' ' 97' ' ' LEU . 53.9 Cg_endo -69.84 -48.14 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.574 2.183 . . . . 0.0 112.296 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.4 m 64.84 68.21 0.77 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.589 0.709 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 151.12 69.27 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.768 2.312 . . . . 0.0 112.334 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.5 tt -117.45 -15.91 8.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.69 -40.1 59.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -51.13 -49.48 60.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.26 -53.99 46.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.058 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.6 mp -51.74 -52.27 49.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.22 -64.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.751 HG22 ' CD1' ' A' ' 105' ' ' TYR . 57.2 p -51.77 -32.87 32.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -66.34 -36.03 81.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.24 169.02 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 60.08 89.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -110.91 -74.47 0.64 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.5 t -179.12 -73.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.02 176.02 6.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.975 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 52.72 53.64 11.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -84.18 147.42 27.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' TRP . . . . . 0.418 ' HB3' HD12 ' A' ' 164' ' ' LEU . 0.2 OUTLIER 63.1 -177.26 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.418 HD12 ' HB3' ' A' ' 163' ' ' TRP . 4.1 mp 56.08 65.77 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 5.4 ptt85 -67.23 -28.04 67.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.91 -26.58 6.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.35 -68.95 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.4 m -48.54 -45.09 36.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.5 mm -62.91 -45.4 98.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -63.39 -31.19 72.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.015 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -55.31 8.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.612 HD12 ' HB3' ' A' ' 102' ' ' TYR . 13.5 pt -59.29 -39.21 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 57.3 mt -67.65 -47.2 70.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -49.99 75.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 53.4 m -62.43 -41.9 99.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.403 HD13 ' HB3' ' A' ' 99' ' ' TYR . 11.4 tp -57.3 -51.23 70.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.51 ' HA ' HD12 ' A' ' 180' ' ' LEU . 7.3 tt0 -60.73 -56.45 21.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 182' ' ' VAL . 3.1 mt-10 -52.94 -46.66 68.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.58 -38.94 89.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 177' ' ' GLU . 13.9 mt -61.32 -62.18 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -51.87 -46.5 64.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 178' ' ' GLU . 77.2 t -60.98 -49.72 83.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 52.3 m -51.79 -52.61 47.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.185 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.586 ' CD2' HG21 ' A' ' 34' ' ' ILE . 4.1 tp -59.06 -46.65 87.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 57.2 ttm-85 -60.54 -28.86 68.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 41.5 t -75.82 -51.73 11.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.794 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.2 t -62.36 -28.87 70.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -54.68 150.49 9.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -84.18 -18.25 37.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 41.2 p . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 -179.88 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.816 0.341 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -139.15 97.56 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.2 p -116.82 138.43 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.058 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -163.43 89.46 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -110.37 177.25 4.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.12 50.63 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.515 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -156.52 60.91 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.868 0.366 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -136.03 163.74 29.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.3 t -118.02 -42.15 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.108 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.09 -178.4 0.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.36 29.48 15.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 t -151.53 149.73 29.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.231 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.08 159.53 72.01 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.636 0.731 . . . . 0.0 111.105 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -171.26 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.705 2.27 . . . . 0.0 112.372 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -120.25 -37.3 3.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.48 157.25 18.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 90.12 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.4 HG12 HG23 ' A' ' 26' ' ' THR . 34.6 t -90.64 -16.78 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 63.52 26.03 14.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.4 HG23 HG12 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -94.55 162.75 13.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -51.61 -47.43 63.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.68 -51.56 54.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.933 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -60.59 -39.98 90.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.1 t -63.42 -54.18 36.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.069 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.703 ' O ' HG23 ' A' ' 35' ' ' THR . . . -55.59 -51.89 51.76 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.84 -38.0 95.26 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.55 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.654 ' O ' HG12 ' A' ' 37' ' ' VAL . 0.9 OUTLIER -67.23 -43.88 80.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.703 0.287 . . . . 0.0 110.912 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.648 ' CD1' HD22 ' A' ' 184' ' ' LEU . 75.6 mt -63.73 -37.9 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.111 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 31' ' ' GLY . 70.6 p -68.28 -46.41 70.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -60.68 -55.25 35.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.742 HG22 HD11 ' A' ' 41' ' ' ILE . 7.3 p -59.45 -39.04 78.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.9 mt -58.55 -48.75 79.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -63.31 -44.45 94.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.32 -44.71 95.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.963 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.742 HD11 HG22 ' A' ' 37' ' ' VAL . 29.7 mt -61.28 -48.1 90.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 38' ' ' LEU . 85.1 t -56.6 -52.64 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.49 -43.77 84.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.8 ttt -66.91 -31.88 72.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.503 ' HA ' HD13 ' A' ' 173' ' ' LEU . 53.9 ttp85 -73.42 -51.29 17.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.54 -28.55 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -53.9 -43.17 69.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mp -54.08 -28.73 41.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.3 31.36 2.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 t30 57.43 27.24 13.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.76 43.21 99.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -85.49 105.69 16.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 110.806 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.5 p -53.37 -29.9 36.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.38 -33.73 58.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.8 t -59.65 -27.77 66.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.0 mtp -70.47 -38.37 74.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -109.98 26.26 10.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -82.69 -62.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.55 36.28 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.93 26.3 4.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.46 -27.67 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.51 -33.84 4.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.013 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.04 -41.6 83.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.997 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -60.03 -31.51 70.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -106.52 28.98 7.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.74 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -144.0 26.3 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.45 138.8 34.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.39 -25.66 16.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.42 HD23 ' CE1' ' A' ' 99' ' ' TYR . 8.7 mp -64.03 160.71 45.39 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.656 0.741 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 137.24 34.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.739 2.292 . . . . 0.0 112.283 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -147.78 124.32 11.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.473 ' HB ' HG11 ' A' ' 182' ' ' VAL . 4.3 mt -55.06 143.45 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.37 51.77 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.67 161.85 38.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.847 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -168.51 42.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -176.98 123.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.7 -175.76 18.91 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.453 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.9 t 60.81 94.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.377 . . . . 0.0 110.933 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -124.68 138.49 54.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.835 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.24 133.22 44.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.9 t -108.18 -26.46 10.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -147.99 -96.87 0.18 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.439 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -120.69 -58.56 1.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.943 0.401 . . . . 0.0 110.964 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -145.93 49.15 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -99.26 -179.02 4.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 62.55 169.95 0.13 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.6 tt -125.24 144.9 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.26 127.57 14.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.4 mt -75.65 172.94 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.41 -65.07 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.5 mttm 57.97 38.1 26.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 60.4 mt -106.62 -29.31 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.649 ' OG ' HD12 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -62.25 -49.37 75.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.7 p -56.71 -52.08 66.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.785 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.67 -51.74 56.18 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.411 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.18 -45.56 92.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.883 0.373 . . . . 0.0 110.923 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.67 HD13 HD21 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -60.34 -44.9 95.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.531 ' N ' HD23 ' A' ' 97' ' ' LEU . 44.7 mt-10 -59.65 -51.13 71.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.42 ' CE1' HD23 ' A' ' 69' ' ' LEU . 23.5 m-85 -56.44 -48.24 77.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -56.63 -47.23 80.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.7 m -64.04 -34.3 77.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.789 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.3 m-85 -64.98 -61.95 1.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.964 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 104' ' ' GLU . 1.8 pp -56.15 -41.82 76.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.513 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.0 OUTLIER -65.52 -35.83 82.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.588 ' CE1' HG22 ' A' ' 154' ' ' THR . 13.1 t80 -70.15 -52.06 26.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.974 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.634 ' HE1' HD11 ' A' ' 110' ' ' LEU . 4.7 ppp? -67.07 -26.76 66.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -64.74 -30.89 71.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -59.93 -37.0 78.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.51 96.96 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.682 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.2 mt -148.16 175.28 11.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -75.85 -178.89 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -60.14 -51.22 70.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -73.07 -47.34 45.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.682 ' CB ' HD22 ' A' ' 110' ' ' LEU . 1.1 mmmp? -55.66 -36.29 66.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -67.78 -50.07 58.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.95 -46.78 75.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -71.04 -40.12 71.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.962 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.99 -44.34 74.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.75 -49.7 72.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.5 t -60.66 -42.3 91.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -50.02 75.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.506 ' HA ' HD13 ' A' ' 103' ' ' LEU . 11.7 tm0? -59.31 -48.52 81.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -53.78 -53.15 56.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -55.72 -48.12 75.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.0 m -58.21 -49.37 77.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -54.88 -45.58 74.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.3 m -61.28 -54.52 42.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.149 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.627 HD23 ' N ' ' A' ' 129' ' ' ILE . 0.2 OUTLIER -54.36 -51.9 63.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.627 ' N ' HD23 ' A' ' 128' ' ' LEU . 60.6 mt -59.5 -36.5 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -62.8 -47.88 81.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 64.8 mt -62.53 -53.16 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -59.57 -50.05 75.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -58.51 -36.94 74.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -64.64 -50.12 68.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.6 -52.5 65.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.5 m -62.96 -32.07 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.16 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -66.98 -42.8 84.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -76.05 -27.53 57.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.53 -5.73 46.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 66.19 31.17 8.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -140.39 84.62 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.933 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.437 HD12 ' H ' ' A' ' 143' ' ' VAL . 6.1 tp -171.82 140.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.062 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.437 ' H ' HD12 ' A' ' 142' ' ' ILE . 6.0 m -153.09 147.91 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.67 HD21 HD13 ' A' ' 97' ' ' LEU . 6.3 tt -150.41 135.48 9.91 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.616 0.722 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.647 ' N ' HD23 ' A' ' 144' ' ' LEU . 54.9 Cg_endo -69.66 -86.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.244 . . . . 0.0 112.424 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -179.22 158.76 0.93 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.504 0.668 . . . . 0.0 111.179 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.505 ' HD2' HG22 ' A' ' 146' ' ' THR . 53.5 Cg_endo -69.76 115.8 4.26 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.676 2.25 . . . . 0.0 112.269 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.418 ' O ' HD13 ' A' ' 152' ' ' LEU . 0.9 OUTLIER -124.59 -36.35 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.2 m -58.97 -47.36 85.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.807 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -51.58 -48.04 63.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -57.0 -52.79 63.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.418 HD13 ' O ' ' A' ' 148' ' ' ILE . 9.5 mp -51.53 -56.06 15.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.415 HD11 HG21 ' A' ' 168' ' ' THR . 3.7 mm? -52.27 -63.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.588 HG22 ' CE1' ' A' ' 105' ' ' TYR . 78.8 p -51.06 -32.93 23.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.32 -31.46 54.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 8.2 tttp 60.55 97.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -104.12 136.37 43.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.95 179.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.908 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.49 75.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.21 -75.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -168.37 -58.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.52 161.85 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.815 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 22.5 p-90 -147.3 100.34 3.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 33.3 mt -101.0 73.63 1.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -33.41 72.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.78 -26.5 5.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -69.58 -69.07 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.778 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' THR . . . . . 0.415 HG21 HD11 ' A' ' 153' ' ' LEU . 95.4 m -48.51 -44.83 36.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.222 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.1 -45.7 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.17 -32.22 73.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -55.13 10.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.789 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.7 pt -60.22 -36.12 66.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 45' ' ' ARG . 25.1 mt -67.26 -55.61 13.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -54.41 -46.55 73.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.986 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 3.6 t -61.45 -46.56 89.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.8 tp -54.32 -56.89 13.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.04 -52.89 61.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.548 ' O ' HG23 ' A' ' 182' ' ' VAL . 0.2 OUTLIER -54.33 -45.13 72.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -62.04 -37.28 84.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 2.6 mt -63.95 -59.49 4.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.03 -43.94 70.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 178' ' ' GLU . 71.1 t -64.51 -52.8 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 52.1 m -50.34 -44.83 54.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.648 HD22 ' CD1' ' A' ' 34' ' ' ILE . 4.5 tp -67.18 -45.48 76.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -25.17 66.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 47.6 t -82.35 -50.84 8.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.447 HG22 ' HA ' ' A' ' 184' ' ' LEU . 10.8 t -65.55 -14.49 61.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.176 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.75 -30.13 70.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 63.14 16.71 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.86 0.362 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -114.7 89.89 3.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 p -106.32 141.5 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.061 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 ttm-85 -108.12 66.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 55.47 -178.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.76 -19.96 9.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.472 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -108.88 172.06 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.923 0.392 . . . . 0.0 110.795 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -109.95 -177.2 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.768 HG21 HG21 ' A' ' 35' ' ' THR . 9.0 t -119.42 -33.68 4.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.15 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -54.73 157.86 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -167.44 45.76 0.05 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 p 47.07 90.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.28 159.68 2.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.699 . . . . 0.0 111.059 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -179.93 3.25 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.707 2.272 . . . . 0.0 112.375 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -82.28 -23.96 34.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.28 157.09 76.21 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 111.03 2.69 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.616 2.211 . . . . 0.0 112.314 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -91.7 -15.64 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 63.32 25.45 14.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.012 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -93.83 166.86 11.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.15 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 p -51.5 -45.88 63.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 p -52.95 -51.92 59.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -40.14 89.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 26' ' ' THR . 92.2 t -63.59 -54.36 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.632 ' O ' HG23 ' A' ' 35' ' ' THR . . . -54.54 -52.23 46.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.54 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.5 -37.96 95.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.415 ' CD1' HG21 ' A' ' 127' ' ' THR . 1.0 OUTLIER -66.92 -50.85 61.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.957 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.571 ' CD1' HD23 ' A' ' 184' ' ' LEU . 78.1 mt -57.2 -41.78 78.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.768 HG21 HG21 ' A' ' 15' ' ' THR . 81.9 p -65.17 -45.96 82.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -57.15 -55.42 35.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.73 HG22 HD11 ' A' ' 41' ' ' ILE . 9.3 p -59.96 -35.83 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.224 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.664 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.9 OUTLIER -59.82 -48.43 81.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -65.55 -42.12 92.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.06 -45.66 93.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.73 HD11 HG22 ' A' ' 37' ' ' VAL . 36.4 mt -62.46 -50.09 81.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 38' ' ' LEU . 88.2 t -54.01 -54.37 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.182 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -57.75 -43.63 85.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.6 ttt -64.57 -31.8 73.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -69.74 -51.27 35.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -70.99 -28.47 64.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.35 -31.6 63.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.1 mt -58.45 -35.23 71.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 79.7 m -95.9 37.2 1.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 56.8 30.79 18.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.43 35.62 91.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -88.73 119.24 29.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.822 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.4 -33.55 74.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.77 -42.16 88.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.11 -29.86 65.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 30.6 mtp -70.19 -29.63 66.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -117.32 28.6 8.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.65 -58.14 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.49 23.56 13.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -105.13 26.31 9.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -102.79 -39.23 7.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.77 -28.79 8.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.16 -31.41 61.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.041 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -55.92 -27.94 54.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.842 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -124.18 37.42 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -149.32 28.12 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.43 134.17 39.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.951 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.26 -26.63 30.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.52 HD23 ' CE1' ' A' ' 99' ' ' TYR . 8.6 mp -66.77 160.72 66.82 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 101.82 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.66 2.24 . . . . 0.0 112.378 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.69 146.03 40.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.441 HG13 HG11 ' A' ' 182' ' ' VAL . 17.0 pt -119.76 163.87 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.098 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -135.4 -72.91 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -179.22 116.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -160.01 -59.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.24 169.16 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 167.71 55.17 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.494 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 7.7 p -175.51 48.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -135.16 155.03 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 60.43 85.1 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.984 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.73 149.72 34.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.058 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 138.51 -75.71 0.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -80.69 92.14 5.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.941 0.401 . . . . 0.0 110.991 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.3 m120 62.3 165.08 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.42 115.72 11.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.56 145.77 35.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.7 tt -52.56 147.46 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.16 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 4.1 t -120.1 -36.59 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.58 96.6 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -172.2 155.36 3.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.0 tttt 59.23 -172.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mt 71.03 -69.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.9 -49.32 59.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.6 t -54.04 -52.59 60.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.44 -49.64 72.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.54 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -51.93 -48.3 64.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.622 HD13 HD13 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -61.77 -49.45 76.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.818 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.81 -51.26 68.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.52 ' CE1' HD23 ' A' ' 69' ' ' LEU . 24.3 m-85 -57.21 -47.11 82.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -54.19 -49.26 69.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.6 t -62.71 -37.16 85.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.704 ' HB3' HD12 ' A' ' 172' ' ' ILE . 11.7 m-85 -61.45 -64.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.3 pp -54.63 -39.04 67.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.513 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.5 mm-40 -64.31 -36.66 84.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -69.39 -51.83 32.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.953 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.7 ptm -66.01 -32.76 74.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -26.24 67.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -63.39 -36.98 85.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -126.91 96.99 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.594 HD13 ' HB3' ' A' ' 114' ' ' LYS . 9.0 mt -149.0 174.31 12.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -75.97 -176.24 3.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.85 -51.1 69.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -71.52 -47.49 54.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.594 ' HB3' HD13 ' A' ' 110' ' ' LEU . 20.3 mmtm -55.82 -39.1 70.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.04 -49.11 66.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.16 -49.87 68.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -69.6 -39.66 77.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.823 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.86 -43.71 73.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.022 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -55.75 -49.31 73.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.1 t -61.69 -42.62 95.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.408 HD21 HG12 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -57.43 -48.4 79.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -62.25 -48.98 77.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -53.92 -53.25 55.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -56.65 -50.6 71.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.697 HG22 HD12 ' A' ' 129' ' ' ILE . 32.8 m -52.25 -43.94 64.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -68.23 -33.75 74.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.415 HG21 ' CD1' ' A' ' 33' ' ' LEU . 7.0 m -65.63 -56.75 10.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.442 HD12 HG13 ' A' ' 129' ' ' ILE . 0.6 OUTLIER -61.69 -43.12 99.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.697 HD12 HG22 ' A' ' 125' ' ' THR . 75.5 mt -64.33 -35.18 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.177 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -71.23 -40.47 71.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 21.4 mt -66.21 -49.3 77.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.157 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.549 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.5 m-85 -65.14 -49.02 71.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -58.41 -42.82 88.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -63.21 -53.99 44.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -57.31 -49.78 75.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 132' ' ' PHE . 87.6 t -63.57 -33.82 63.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.199 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -69.01 -36.48 77.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -73.28 -43.29 61.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.802 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.9 mt -72.38 -58.01 3.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.966 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -123.69 -169.84 2.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.43 176.61 5.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.6 tp -176.06 146.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 10.8 m -142.87 179.88 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.231 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.622 HD13 HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -177.71 137.51 0.39 Allowed Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 121.574 0.702 . . . . 0.0 110.951 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 -85.88 0.0 OUTLIER 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.699 2.266 . . . . 0.0 112.294 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 179.51 147.63 0.43 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.557 0.694 . . . . 0.0 111.141 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 143.27 49.76 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.309 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 15.1 tt -116.22 -21.82 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 7.4 m -51.79 -35.57 44.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ASN . . . . . 0.409 ' O ' HG23 ' A' ' 154' ' ' THR . 13.8 t-20 -51.81 -50.65 60.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.03 93.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 25.1 mt -58.66 -64.58 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 13.6 mt -51.76 -54.3 30.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 150' ' ' ASN . 68.7 p -55.86 -32.93 64.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -72.0 -26.61 62.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -58.23 -61.71 2.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.48 176.5 10.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -118.53 -33.57 4.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.64 153.16 31.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 59.1 66.27 1.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.62 54.16 1.94 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -111.51 50.41 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 16.7 p-90 -107.06 -27.09 10.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 9.7 tp -167.29 32.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -80.24 -29.83 38.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.8 -26.61 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -69.54 -68.86 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.7 m -48.44 -44.78 35.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.38 -46.13 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.182 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.97 -31.35 72.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.975 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.65 -55.01 9.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.704 HD12 ' HB3' ' A' ' 102' ' ' TYR . 17.4 pt -60.28 -37.05 72.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.053 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.2 -54.9 16.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -55.21 -47.72 74.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 4.8 t -59.5 -47.88 83.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.646 HD12 HD13 ' A' ' 180' ' ' LEU . 8.8 tp -54.01 -55.74 24.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.507 ' CD ' HG22 ' A' ' 42' ' ' VAL . 7.9 tt0 -54.0 -57.12 12.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.698 ' O ' HG23 ' A' ' 182' ' ' VAL . 5.7 mm-40 -53.67 -40.12 65.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -60.69 -52.07 66.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.646 HD13 HD12 ' A' ' 176' ' ' LEU . 7.1 mp -56.7 -43.59 80.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 181' ' ' LYS . . . . . 0.598 ' HG2' HD11 ' A' ' 38' ' ' LEU . 1.8 mtmp? -59.73 -50.15 74.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.99 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 178' ' ' GLU . 46.1 t -61.01 -49.61 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 21.5 m -57.03 -39.15 74.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.571 HD23 ' CD1' ' A' ' 34' ' ' ILE . 3.4 tm? -65.47 -55.99 14.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -62.58 -24.88 67.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 9.2 t -74.16 -48.04 31.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 12.5 t -72.03 -26.51 62.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -78.06 156.77 29.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.8 -20.85 59.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 20.4 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 -179.842 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.825 0.345 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.78 96.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.2 p -99.43 141.21 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -135.57 114.9 12.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -130.18 178.29 6.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.75 -19.79 2.0 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.99 135.44 57.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -113.84 176.65 4.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.7 t -120.91 -32.94 3.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.102 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.97 147.62 6.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -161.6 33.75 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.7 p -89.34 161.89 16.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -103.41 159.66 28.6 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 121.646 0.736 . . . . 0.0 111.038 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 -179.28 2.84 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.6 2.2 . . . . 0.0 112.366 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -151.94 46.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 61.71 160.86 0.11 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.6 78.76 0.94 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.76 2.306 . . . . 0.0 112.376 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.59 -13.01 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 63.48 24.87 14.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.49 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -94.73 161.61 14.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -51.58 -47.98 63.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.6 -51.41 55.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -61.24 -38.68 87.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 26' ' ' THR . 96.0 t -62.62 -54.25 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.44 -52.04 54.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.44 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.84 -40.8 95.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.804 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -65.71 -37.81 87.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.782 0.325 . . . . 0.0 110.94 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.658 HG21 ' CD2' ' A' ' 184' ' ' LEU . 14.4 mm -63.99 -53.48 43.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.6 t -60.71 -37.97 83.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.189 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -63.02 -55.71 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.823 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.614 HG22 HD11 ' A' ' 41' ' ' ILE . 13.4 p -61.27 -32.08 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.041 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -64.61 -48.28 75.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.936 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.5 t90 -64.59 -44.69 89.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.529 ' OE2' HG21 ' A' ' 120' ' ' VAL . 1.3 mt-10 -58.78 -46.5 87.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.614 HD11 HG22 ' A' ' 37' ' ' VAL . 45.6 mt -61.83 -47.68 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 38' ' ' LEU . 99.1 t -56.05 -43.17 74.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -68.11 -41.92 81.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -32.26 73.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -49.35 22.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -70.06 -28.96 65.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -55.03 -34.27 63.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.69 -33.94 76.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.25 27.73 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.05 36.56 21.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.83 43.84 94.53 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.566 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -86.94 125.76 34.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.0 p -67.17 -39.31 86.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -35.77 80.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -57.91 -27.3 63.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.2 mtp -69.1 -47.56 64.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.817 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -104.49 33.64 3.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -85.89 -58.17 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.94 22.93 14.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.816 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -98.73 33.27 2.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.5 -32.47 5.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.18 -29.42 5.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.62 -32.63 65.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -58.35 -27.47 64.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -114.9 31.98 6.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -148.98 30.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.458 HD22 ' OG ' ' A' ' 175' ' ' SER . 0.3 OUTLIER -101.27 153.55 19.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.74 -25.97 13.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.469 HD23 ' HE1' ' A' ' 99' ' ' TYR . 8.7 mp -64.1 160.67 46.33 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.595 0.712 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 140.21 42.19 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.598 2.199 . . . . 0.0 112.404 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -146.21 141.65 27.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.2 mt -72.16 139.72 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -129.72 -39.75 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.994 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.21 -75.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 53.02 84.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.61 177.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.56 176.31 17.62 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 26.1 p -146.39 131.66 18.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -149.3 28.93 0.8 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.961 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -122.65 38.37 4.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.92 114.16 22.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.4 -153.66 52.1 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.418 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -131.17 -42.32 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.919 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -116.2 45.07 1.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.75 -68.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 58.47 60.1 2.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.812 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 10.3 pt -144.68 172.0 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 8.6 m -145.59 -66.82 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -176.14 160.17 2.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 tp -173.86 127.2 0.38 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.64 98.72 4.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.2 mt -118.4 -29.6 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 p -68.14 -43.99 77.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -52.3 61.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.876 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.56 -51.06 60.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.571 HD22 HG12 ' A' ' 129' ' ' ILE . 19.5 mt -53.67 -52.29 60.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.887 0.375 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.568 HD22 ' CG ' ' A' ' 145' ' ' PRO . 0.2 OUTLIER -57.02 -47.67 80.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -53.57 46.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.469 ' HE1' HD23 ' A' ' 69' ' ' LEU . 19.8 m-85 -57.78 -44.93 86.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -57.16 -47.05 82.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.794 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -35.94 82.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.751 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.6 m-85 -63.22 -62.11 1.91 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 pp -57.01 -42.21 79.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.27 -31.31 72.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -70.7 -52.19 22.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.5 ptm -71.19 -27.89 63.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.59 ' HA ' HD12 ' A' ' 110' ' ' LEU . 2.0 tmtm? -56.17 -37.76 70.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -59.85 -41.03 90.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.01 87.05 2.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.696 HD22 ' CB ' ' A' ' 114' ' ' LYS . 8.0 mt -149.09 178.03 9.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -82.41 -175.85 5.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.74 -51.31 67.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -65.68 -51.87 56.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.696 ' CB ' HD22 ' A' ' 110' ' ' LEU . 22.4 mmtm -55.7 -33.85 64.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -50.93 61.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -45.31 86.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -70.6 -32.85 70.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.5 -36.25 80.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -65.37 -50.75 64.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.529 HG21 ' OE2' ' A' ' 40' ' ' GLU . 6.4 p -63.69 -38.66 82.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.29 -49.16 75.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.65 -49.79 76.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.3 mtp85 -54.74 -53.07 59.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -54.47 -47.29 73.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.544 HG22 ' CD1' ' A' ' 129' ' ' ILE . 6.5 m -58.93 -50.09 75.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -56.45 -37.17 69.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 89.1 m -66.34 -56.48 10.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.169 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.804 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -58.1 -31.27 66.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.965 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.571 HG12 HD22 ' A' ' 96' ' ' LEU . 76.7 mt -73.47 -41.3 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -44.79 93.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.4 mt -68.31 -53.24 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.623 ' O ' HG23 ' A' ' 136' ' ' VAL . 5.3 m-85 -57.26 -50.11 73.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -62.96 -39.18 93.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -56.82 -52.84 63.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.35 -52.54 61.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 132' ' ' PHE . 94.9 t -53.55 -42.16 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -69.24 -37.83 78.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -72.17 -19.99 61.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.792 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.44 1.4 29.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 65.74 33.45 8.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.57 79.29 1.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.5 tp -139.95 143.43 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 144' ' ' LEU . 3.0 t -114.05 160.93 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.405 ' N ' HG12 ' A' ' 143' ' ' VAL . 0.2 OUTLIER -80.15 141.56 54.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.683 0.754 . . . . 0.0 110.892 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.568 ' CG ' HD22 ' A' ' 97' ' ' LEU . 53.8 Cg_endo -69.74 -48.75 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.726 2.284 . . . . 0.0 112.368 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.6 m 62.38 68.03 1.11 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.551 0.691 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 123.17 9.84 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.749 2.3 . . . . 0.0 112.364 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.1 tt -131.78 -39.1 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.211 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -40.64 61.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -50.76 -51.02 54.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.3 -46.17 76.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 18.1 mt -55.97 -55.52 31.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.568 HD11 HG21 ' A' ' 168' ' ' THR . 4.0 mm? -53.5 -62.58 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.954 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 69.6 p -52.56 -32.85 43.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -69.33 -33.53 73.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -75.15 130.17 38.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.08 139.33 35.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -140.12 178.66 7.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 10.4 p -84.95 136.86 33.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.804 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 60.34 177.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -121.94 60.17 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -174.37 97.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -153.87 -61.62 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -164.14 35.4 0.08 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -80.98 -27.91 35.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.979 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.8 -26.44 5.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.16 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -69.47 -69.09 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' THR . . . . . 0.568 HG21 HD11 ' A' ' 153' ' ' LEU . 85.7 m -48.54 -45.46 37.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.0 mm -62.33 -46.17 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -62.46 -32.53 73.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -55.16 11.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.751 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.4 pt -60.49 -36.02 66.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.07 -51.72 50.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -58.99 -44.95 91.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.458 ' OG ' HD22 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -61.83 -44.57 96.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.412 HD22 ' HB3' ' A' ' 99' ' ' TYR . 9.0 tp -58.68 -58.06 10.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.11 -56.0 19.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.593 ' O ' HG13 ' A' ' 182' ' ' VAL . 8.1 mm-40 -55.73 -39.99 71.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -66.45 -30.55 70.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.426 ' HB3' HD21 ' A' ' 38' ' ' LEU . 57.5 mt -72.05 -51.8 19.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.9 -44.45 91.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 178' ' ' GLU . 18.6 m -69.2 -36.54 73.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.5 m -60.9 -48.6 81.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.149 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.658 ' CD2' HG21 ' A' ' 34' ' ' ILE . 4.9 tp -69.52 -44.86 70.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -60.76 -28.88 69.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 8.5 t -82.61 -49.75 9.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.504 HG22 ' HA ' ' A' ' 184' ' ' LEU . 5.0 t -63.63 -15.78 59.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 188' ' ' ARG . . . . . 0.445 HH21 HG23 ' A' ' 190' ' ' THR . 4.4 mtm-85 -63.15 177.0 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -96.65 -18.26 19.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.445 HG23 HH21 ' A' ' 188' ' ' ARG . 9.1 t . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.706 0.289 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -170.54 128.41 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.6 p -71.69 135.61 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.21 149.21 48.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -143.41 161.55 38.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 178.39 46.45 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.469 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -56.39 147.74 20.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -125.91 163.57 22.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 t -116.82 -24.24 7.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.187 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -51.92 141.79 16.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -172.96 42.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.1 p -75.99 -178.1 4.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -91.36 159.64 38.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.724 . . . . 0.0 111.182 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 176.82 6.19 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.712 2.275 . . . . 0.0 112.374 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -155.22 53.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 63.57 153.92 0.12 Allowed Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.683 0.754 . . . . 0.0 110.813 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 108.7 2.13 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.552 HG13 HG23 ' A' ' 26' ' ' THR . 9.0 p -108.3 -20.4 6.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 64.7 47.16 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.552 HG23 HG13 ' A' ' 24' ' ' VAL . 71.1 p -119.79 158.94 25.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.167 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.74 -35.56 32.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -45.64 70.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.51 -51.16 70.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.415 HG23 ' N ' ' A' ' 31' ' ' GLY . 21.3 m -61.5 -42.58 94.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.415 ' N ' HG23 ' A' ' 30' ' ' VAL . . . -58.19 -52.42 52.66 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.558 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.26 -38.01 95.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.521 HD21 ' O ' ' A' ' 124' ' ' ASP . 1.3 tt -68.05 -34.28 76.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.339 . . . . 0.0 110.963 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.733 HG21 ' HG ' ' A' ' 184' ' ' LEU . 13.2 mm -69.11 -49.01 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 t -63.86 -40.43 96.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.187 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -65.17 -55.37 19.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.52 HG22 HD11 ' A' ' 41' ' ' ILE . 9.6 p -59.85 -32.87 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.559 ' O ' HG23 ' A' ' 42' ' ' VAL . 10.5 mt -65.77 -48.66 71.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -62.92 -41.94 99.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -62.58 -46.07 90.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.52 HD11 HG22 ' A' ' 37' ' ' VAL . 34.8 mt -59.51 -47.69 89.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 38' ' ' LEU . 84.1 t -58.21 -55.35 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -59.37 -44.45 92.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.7 ttt -63.72 -31.7 72.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -51.33 32.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.813 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -70.43 -28.31 64.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.09 -30.83 64.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.415 HD23 ' HE3' ' A' ' 114' ' ' LYS . 26.1 mt -58.36 -34.14 70.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 92.5 m -95.52 35.81 1.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 t30 60.23 28.05 17.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.03 39.92 97.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -94.74 112.4 24.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 t -55.47 -26.84 44.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.785 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -63.15 -42.6 99.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.2 t -58.03 -35.47 71.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 19.9 mtp -54.98 -39.69 69.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -120.22 31.84 6.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -85.3 -63.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.71 27.7 6.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.8 27.66 3.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.9 -31.93 9.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.14 -35.47 4.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.969 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.424 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -52.88 -28.72 24.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -57.17 -26.18 60.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -125.46 30.41 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -143.74 25.89 1.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.631 HD22 HD12 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -96.25 -47.96 5.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.03 23.04 9.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.631 HD12 HD22 ' A' ' 67' ' ' LEU . 20.2 mt -84.19 159.26 59.83 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.635 0.731 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 78.96 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.63 2.22 . . . . 0.0 112.382 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -116.86 151.66 36.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.5 mt -64.82 114.67 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -146.86 158.48 43.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.963 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.19 89.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -79.14 139.78 37.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -103.9 -40.56 6.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.81 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.68 79.32 1.37 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.535 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.93 108.98 15.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 110.83 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -146.91 167.24 24.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -55.63 135.81 50.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.0 t -128.14 -39.17 1.75 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -143.91 -61.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.523 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -163.77 -41.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.337 . . . . 0.0 110.926 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -78.7 159.69 27.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -148.29 114.09 5.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -127.11 168.71 14.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 41.6 pt -63.95 149.96 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 9.4 m -106.54 26.27 10.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.1 mt 59.59 94.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.75 -32.32 9.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.0 mptt 55.82 73.8 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.8 mt -108.29 -24.56 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.071 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.473 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -70.85 -46.74 62.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.81 -179.833 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.5 p -53.83 -52.33 60.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.911 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.31 -49.73 71.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.6 mp -56.86 -45.17 82.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.371 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 93' ' ' SER . 0.3 OUTLIER -60.85 -49.31 77.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.2 -54.42 45.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -53.88 -48.13 70.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -54.34 -49.17 70.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.821 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.1 m -61.56 -35.53 78.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.739 ' HB3' HD12 ' A' ' 172' ' ' ILE . 24.7 m-85 -64.15 -64.45 0.88 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.603 HD13 ' HA ' ' A' ' 122' ' ' GLN . 2.3 pp -53.22 -38.75 63.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.577 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.9 OUTLIER -65.85 -39.27 90.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.708 ' CD2' HD13 ' A' ' 153' ' ' LEU . 34.3 t80 -67.56 -37.6 82.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.444 ' HG2' HD11 ' A' ' 110' ' ' LEU . 2.8 ttt -74.95 -37.72 61.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.806 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -25.95 64.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.974 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -59.93 -41.21 91.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -129.66 98.67 4.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.642 HD22 ' CB ' ' A' ' 114' ' ' LYS . 8.5 mt -147.23 176.69 9.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -82.1 -175.95 5.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.82 -51.26 68.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -69.17 -49.75 53.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.642 ' CB ' HD22 ' A' ' 110' ' ' LEU . 22.1 mmtm -55.65 -35.8 66.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.89 -48.91 64.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.34 -46.75 79.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -70.73 -42.29 70.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.4 -40.67 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -55.71 -43.32 76.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.2 t -73.03 -34.62 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.477 HD11 ' N ' ' A' ' 41' ' ' ILE . 0.5 OUTLIER -67.09 -50.72 60.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.603 ' HA ' HD13 ' A' ' 103' ' ' LEU . 1.6 pp0? -66.62 -44.22 82.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -58.19 -53.48 57.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.521 ' O ' HD21 ' A' ' 33' ' ' LEU . 9.3 m-20 -58.99 -48.76 80.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.666 HG22 HD12 ' A' ' 129' ' ' ILE . 90.7 m -52.99 -45.14 67.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -35.37 80.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.3 m -67.6 -56.56 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.1 pp -60.54 -37.11 80.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.666 HD12 HG22 ' A' ' 125' ' ' THR . 46.0 mt -70.16 -36.35 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -67.21 -44.51 79.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.7 mt -67.38 -52.12 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.439 ' O ' HG23 ' A' ' 136' ' ' VAL . 2.8 m-85 -58.51 -50.24 74.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -61.37 -40.57 94.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -59.5 -47.63 84.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -62.52 -52.29 64.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 132' ' ' PHE . 62.6 t -58.91 -41.33 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -69.16 -38.15 78.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -65.39 -37.24 86.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.894 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.9 tp -51.43 -36.19 42.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -165.63 -77.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.848 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 178.18 147.41 0.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.961 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.423 ' O ' HG13 ' A' ' 143' ' ' VAL . 3.9 tp -177.42 122.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.423 HG13 ' O ' ' A' ' 142' ' ' ILE . 2.8 m -155.41 140.42 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.129 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.59 85.22 0.3 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.752 0.787 . . . . 0.0 110.959 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -84.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.601 2.201 . . . . 0.0 112.381 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 41.8 p 47.19 67.42 4.48 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.599 0.714 . . . . 0.0 111.169 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 129.89 18.31 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.757 2.305 . . . . 0.0 112.357 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.4 tt -130.15 -39.29 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.5 p -50.53 -47.11 57.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ASN . . . . . 0.446 ' O ' HG23 ' A' ' 154' ' ' THR . 10.8 t30 -54.49 -37.65 65.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.811 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.53 85.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 12.3 mt -61.85 -52.85 62.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.708 HD13 ' CD2' ' A' ' 105' ' ' TYR . 47.8 mt -59.55 -53.21 60.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 150' ' ' ASN . 69.4 p -59.75 -32.97 71.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -63.98 -38.17 90.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 61.06 82.37 0.17 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -61.34 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.82 134.71 40.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 29.6 t -161.23 133.09 5.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -148.53 -71.53 0.21 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -151.22 -55.82 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.1 179.25 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 52.92 83.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.6 pp -175.18 -41.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -30.38 71.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.765 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.52 -26.62 5.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.1 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -69.76 -68.74 0.39 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 94.5 m -48.2 -44.34 32.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 37.8 mm -63.04 -51.99 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -56.1 -31.68 63.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.53 -55.31 8.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.739 HD12 ' HB3' ' A' ' 102' ' ' TYR . 26.6 pt -62.35 -35.68 70.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.77 -52.82 32.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -58.49 -46.12 87.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 4.8 t -60.31 -51.66 68.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.809 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.2 tp -52.79 -57.0 11.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.428 ' HA ' HD12 ' A' ' 180' ' ' LEU . 1.7 tm-20 -51.76 -52.09 51.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.596 ' O ' HG13 ' A' ' 182' ' ' VAL . 2.8 mt-10 -57.09 -38.95 74.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.426 ' HA ' HG22 ' A' ' 182' ' ' VAL . 25.0 t80 -68.89 -30.29 68.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 177' ' ' GLU . 4.6 mt -72.46 -47.51 48.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -63.5 -45.19 91.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 178' ' ' GLU . 21.1 m -67.38 -36.49 76.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.488 ' O ' HG22 ' A' ' 187' ' ' THR . 18.8 m -71.81 -35.05 69.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.733 ' HG ' HG21 ' A' ' 34' ' ' ILE . 1.3 tm? -71.76 -42.49 67.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -74.38 -32.59 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.82 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 27.2 t -71.56 -52.1 19.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 183' ' ' THR . 13.8 t -63.92 -25.04 67.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -79.09 85.57 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.761 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.49 -20.06 10.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.238 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.727 0.298 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -106.59 56.65 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.9 p -108.46 140.73 25.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -111.1 134.5 52.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 55.54 -178.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.84 -41.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.409 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.4 t0 53.13 79.48 0.12 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -150.49 162.94 39.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.5 t -120.17 -42.29 2.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.168 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 58.94 -179.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -167.23 29.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 p 53.07 -174.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.66 159.65 33.48 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.562 0.696 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -170.97 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.661 2.24 . . . . 0.0 112.294 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -111.36 34.58 4.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -116.1 73.96 5.25 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.584 0.707 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 79.43 0.97 Allowed 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.709 2.273 . . . . 0.0 112.301 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 24' ' ' VAL . 16.0 t -81.65 -8.27 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 63.77 25.4 14.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.5 HG23 ' H ' ' A' ' 29' ' ' GLN . 4.6 t -87.54 161.53 17.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.239 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -51.46 -46.85 63.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.225 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 t -51.66 -51.45 55.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.793 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.5 ' H ' HG23 ' A' ' 26' ' ' THR . 4.7 tm0? -60.44 -39.06 86.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.66 -54.37 34.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.65 -52.02 53.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.536 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.71 -38.92 94.56 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.546 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.785 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -66.83 -37.77 85.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 0.0 110.983 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.512 ' N ' HD23 ' A' ' 33' ' ' LEU . 21.3 mm -65.24 -51.57 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.129 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 t -61.93 -38.83 89.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.183 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -63.08 -55.49 24.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.631 HG22 HD11 ' A' ' 41' ' ' ILE . 11.7 p -61.22 -31.92 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.644 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.3 mm? -65.31 -48.2 73.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.7 t90 -65.07 -42.02 94.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -60.78 -48.53 81.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.631 HD11 HG22 ' A' ' 37' ' ' VAL . 40.8 mt -60.83 -50.16 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 38' ' ' LEU . 86.3 t -53.31 -58.75 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.18 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.01 -45.04 71.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.3 ttp -61.42 -31.98 71.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.79 -50.34 30.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -68.54 -28.9 67.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -55.09 -39.84 69.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.3 mt -54.53 -32.37 58.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 67.6 m -96.43 40.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 54.85 28.05 9.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.81 40.83 51.61 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.543 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -99.37 111.24 23.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 110.828 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.75 -28.66 69.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.799 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -26.56 64.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.75 -31.37 72.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.3 mmm -61.55 -31.52 71.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -122.69 29.57 6.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -86.02 -69.81 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.468 ' OD2' HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -99.78 27.88 5.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -81.07 -26.09 36.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.86 -65.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.468 HD21 ' OD2' ' A' ' 59' ' ' ASP . 2.7 pp -61.04 -40.1 92.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.671 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -58.07 -33.15 68.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -53.57 -28.44 31.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.822 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -111.42 29.86 7.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -142.93 26.81 1.68 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -113.03 135.68 53.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.999 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.97 25.82 2.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.8 mp -82.9 160.67 60.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.497 0.665 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 121.34 8.04 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.66 2.24 . . . . 0.0 112.376 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -148.01 161.08 42.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.2 mt -80.63 115.26 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.023 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -94.74 -68.57 0.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -117.88 170.95 8.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -71.66 178.96 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -100.65 -62.71 1.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.96 83.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.551 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 6.1 p -170.92 70.9 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.768 0.318 . . . . 0.0 110.827 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -162.63 98.82 1.0 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.11 -75.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 p -151.19 82.64 1.32 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -108.25 36.08 4.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 55.66 34.24 22.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.842 0.353 . . . . 0.0 110.901 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -167.95 151.69 6.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -115.28 -27.55 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -112.72 -172.93 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.1 mp 62.69 103.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 6.4 t -157.67 57.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.93 -172.26 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.814 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -112.53 -74.0 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.79 -170.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.5 mt 71.01 -69.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.205 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.87 -49.93 58.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.676 ' HA ' HD21 ' A' ' 144' ' ' LEU . 2.2 t -54.66 -52.25 62.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.71 -48.87 84.07 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.434 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.455 HD13 HG12 ' A' ' 129' ' ' ILE . 16.7 mt -52.35 -50.05 63.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 110.907 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.443 ' HG ' HD12 ' A' ' 144' ' ' LEU . 2.8 mm? -60.01 -49.09 79.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.06 -53.14 59.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.811 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.604 ' HB3' HD13 ' A' ' 176' ' ' LEU . 25.8 m-85 -56.9 -47.41 80.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -54.53 -48.46 71.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -37.35 86.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.786 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.1 m-85 -62.1 -64.41 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.1 pp -54.65 -39.88 68.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.985 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.478 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.4 mt-10 -66.39 -36.31 82.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.719 ' CD1' HG22 ' A' ' 154' ' ' THR . 5.9 t80 -66.54 -52.02 50.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.974 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.749 ' CE ' HD11 ' A' ' 110' ' ' LEU . 10.0 ptm -71.03 -25.92 62.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.881 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.675 ' HA ' HD12 ' A' ' 110' ' ' LEU . 7.1 tmtt? -51.68 -45.2 63.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.82 -37.32 78.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -106.82 78.67 1.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.749 HD11 ' CE ' ' A' ' 106' ' ' MET . 11.9 mt -149.05 178.04 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -82.34 -175.87 5.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -51.3 69.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.64 -51.41 56.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.567 ' CB ' HD22 ' A' ' 110' ' ' LEU . 8.8 mttt -55.69 -36.31 67.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.826 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -68.0 -53.01 29.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.07 -47.2 65.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -71.63 -37.35 70.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.74 -46.78 74.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -55.71 -43.01 76.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.7 t -67.61 -34.41 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.056 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.56 HD21 HG12 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -67.14 -50.92 59.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -62.29 -43.15 99.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -60.91 -51.66 68.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.812 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -56.36 -47.04 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.737 HG22 ' CD1' ' A' ' 129' ' ' ILE . 8.9 m -57.68 -51.02 71.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -57.42 -37.22 72.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 96.2 m -66.45 -55.73 14.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.183 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.785 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -60.28 -30.63 69.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.737 ' CD1' HG22 ' A' ' 125' ' ' THR . 51.5 mt -71.54 -44.94 70.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.072 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -40.8 96.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 24.1 mt -67.62 -50.67 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.086 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.522 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.8 m-85 -63.99 -46.82 82.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.815 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -61.73 -40.6 95.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -62.82 -53.94 46.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -52.02 65.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.81 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 132' ' ' PHE . 92.7 t -60.37 -47.77 91.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.102 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -53.0 -45.28 67.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -70.02 -34.64 73.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 10.1 tp -66.41 -52.79 42.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -137.2 -75.23 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.31 -169.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.476 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.0 146.29 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.824 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.476 ' N ' HD13 ' A' ' 142' ' ' ILE . 7.5 m -130.2 113.09 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.676 HD21 ' HA ' ' A' ' 94' ' ' SER . 0.1 OUTLIER -175.81 87.17 0.29 Allowed Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.637 0.732 . . . . 0.0 110.959 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -48.78 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.365 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 178.82 147.6 0.39 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.547 0.689 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 168.63 21.04 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.729 2.286 . . . . 0.0 112.348 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 4.8 pt -119.76 -30.2 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.233 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.73 -40.63 60.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.767 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -50.76 -51.01 54.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.0 -49.31 71.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 11.2 mp -53.4 -56.06 19.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.61 -63.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.719 HG22 ' CD1' ' A' ' 105' ' ' TYR . 59.4 p -51.58 -32.72 29.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.263 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.79 -36.21 77.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -54.29 -41.2 68.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 6.6 mt -55.66 173.15 0.14 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 63.26 69.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.1 t -154.31 179.96 8.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -110.27 31.94 5.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -150.38 116.6 5.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.95 160.63 15.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -147.65 175.8 10.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.6 104.51 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -81.52 -39.11 25.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.12 -27.08 12.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.074 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -69.43 -69.84 0.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 90.4 m -48.94 -44.08 40.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.4 -46.25 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.189 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -60.75 -33.91 73.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -69.59 -55.41 10.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.786 HD12 ' HB3' ' A' ' 102' ' ' TYR . 20.1 pt -60.78 -36.02 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 18.4 mt -67.14 -51.99 47.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.402 ' HZ1' HD11 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -56.56 -48.95 76.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -42.34 99.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.791 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.604 HD13 ' HB3' ' A' ' 99' ' ' TYR . 9.5 tp -56.16 -55.37 33.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.17 -55.04 40.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.654 ' O ' HG23 ' A' ' 182' ' ' VAL . 4.3 mt-10 -52.83 -42.39 65.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -60.66 -50.75 72.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 35.3 mt -54.7 -48.57 72.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 181' ' ' LYS . . . . . 0.546 ' HG3' HD11 ' A' ' 38' ' ' LEU . 52.6 mtmt -59.98 -52.28 66.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 178' ' ' GLU . 96.0 t -57.21 -43.55 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 35.4 m -59.72 -48.15 82.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.155 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.497 HD23 HG13 ' A' ' 34' ' ' ILE . 1.2 tm? -58.73 -56.01 27.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -61.78 -26.49 68.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 28.8 t -73.63 -48.58 31.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 184' ' ' LEU . 9.3 t -69.15 -25.17 64.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.14 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -75.92 -73.19 0.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -179.55 -34.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 -179.911 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.794 0.33 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -93.15 71.7 4.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.8 p -59.45 137.55 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -60.94 112.96 2.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -96.12 175.84 6.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.4 30.73 6.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.74 169.45 19.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.839 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -127.61 -175.31 3.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.114 0.483 . . . . 0.0 110.793 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.6 t -119.21 -32.77 4.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -151.39 -174.23 4.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.91 26.26 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 p -105.1 101.68 11.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.1 159.69 70.02 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.584 0.707 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -178.75 2.53 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -116.86 24.67 11.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -129.55 154.93 80.91 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.509 0.671 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 111.72 2.88 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.64 2.227 . . . . 0.0 112.35 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.572 ' HB ' HG22 ' A' ' 26' ' ' THR . 21.8 t -96.94 -21.56 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 63.51 22.49 13.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.572 HG22 ' HB ' ' A' ' 24' ' ' VAL . 6.3 t -95.5 164.78 12.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 p -49.94 -46.9 52.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.171 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.1 m -55.27 -51.35 66.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.805 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.519 ' H ' HG23 ' A' ' 26' ' ' THR . 4.0 tm0? -60.52 -37.04 79.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 26' ' ' THR . 88.7 t -63.46 -54.48 32.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.713 ' O ' HG23 ' A' ' 35' ' ' THR . . . -57.82 -52.25 53.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.504 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.57 -42.08 95.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.443 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.577 HD21 ' HB3' ' A' ' 128' ' ' LEU . 1.1 tt -63.53 -47.36 81.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.322 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.474 ' N ' HD23 ' A' ' 33' ' ' LEU . 21.3 mm -56.99 -43.38 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 31' ' ' GLY . 28.9 p -64.45 -44.75 90.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -58.18 -55.5 34.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.773 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.737 HG22 HD11 ' A' ' 41' ' ' ILE . 9.9 p -60.77 -36.32 70.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.664 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.5 mp -59.13 -48.28 82.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -66.22 -42.87 88.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -60.1 -43.66 95.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.737 HD11 HG22 ' A' ' 37' ' ' VAL . 33.5 mt -64.29 -49.57 80.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 38' ' ' LEU . 85.4 t -54.0 -54.59 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -59.12 -44.25 91.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.9 ttt -62.74 -31.61 72.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.627 ' HA ' HD23 ' A' ' 173' ' ' LEU . 4.9 ttt180 -71.26 -51.25 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -69.35 -28.41 66.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -58.97 -32.63 69.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.459 HD23 ' HE3' ' A' ' 114' ' ' LYS . 26.9 mt -55.85 -33.94 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 30.9 m -97.11 37.02 1.36 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.816 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 63.19 26.67 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.28 36.18 92.46 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -91.28 111.87 23.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.88 0.371 . . . . 0.0 110.805 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.19 -30.68 28.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.964 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.71 -43.43 80.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -57.19 -26.05 60.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.4 mtp -69.68 -51.75 31.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.32 43.15 1.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.82 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.03 -49.09 6.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.527 ' OD2' HD11 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -133.5 26.9 4.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -74.85 -27.44 60.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.34 -26.08 51.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.527 HD11 ' OD2' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -115.59 -38.18 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.91 -38.49 75.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -53.92 -32.9 55.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -115.91 33.53 5.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -143.53 26.24 1.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.04 134.65 37.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.49 -26.59 30.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.519 HD23 ' CE1' ' A' ' 99' ' ' TYR . 8.4 mp -65.73 160.63 59.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.694 0.759 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 126.35 13.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.721 2.281 . . . . 0.0 112.334 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -135.49 134.57 39.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.632 ' HB ' HG11 ' A' ' 182' ' ' VAL . 50.4 mt -77.54 139.72 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -96.2 37.25 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.513 ' H ' HG22 ' A' ' 72' ' ' ILE . 0.0 OUTLIER 53.4 85.7 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -69.96 164.47 23.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -97.5 -28.14 14.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 174.4 91.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.601 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 19.7 m -135.42 80.43 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.379 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -165.21 -68.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -149.58 35.63 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -168.67 176.34 5.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.148 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 142.2 162.5 9.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.552 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -128.34 78.82 1.86 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.923 0.392 . . . . 0.0 110.991 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.7 t30 58.84 46.55 13.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.829 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -105.76 -71.4 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 53.85 -170.32 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 34.0 mt 62.65 81.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 20.4 m -133.49 -56.03 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 69.13 -74.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.585 HD11 HG23 ' A' ' 72' ' ' ILE . 1.4 tp 52.51 -170.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -141.72 -72.09 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.3 mt 70.97 -69.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.459 ' OG ' HD11 ' A' ' 142' ' ' ILE . 0.1 OUTLIER -57.06 -50.02 74.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.798 -179.902 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.619 ' HA ' HD11 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -55.33 -52.81 62.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.792 -179.841 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.17 -47.37 90.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.527 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 mp -54.62 -47.93 72.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.877 0.37 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.77 HD22 HD22 ' A' ' 144' ' ' LEU . 0.4 OUTLIER -61.29 -49.53 76.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -49.08 78.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.519 ' CE1' HD23 ' A' ' 69' ' ' LEU . 16.6 m-85 -56.49 -51.26 69.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.488 ' HA ' HD21 ' A' ' 103' ' ' LEU . 61.4 t-80 -54.48 -45.18 73.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.49 -38.46 89.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.592 ' HB3' HD12 ' A' ' 172' ' ' ILE . 23.1 m-85 -65.45 -64.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 122' ' ' GLN . 1.9 pp -51.0 -39.99 57.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.443 ' N ' HD12 ' A' ' 103' ' ' LEU . 23.4 tt0 -67.44 -38.07 83.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -63.45 -46.69 85.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.7 ptm -75.12 -31.2 61.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.49 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -66.77 -27.5 67.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -59.75 -33.02 71.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -136.07 95.48 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.693 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.9 mt -145.37 178.08 8.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.88 -176.03 3.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.53 -51.3 66.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -68.17 -50.04 56.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.693 ' CB ' HD22 ' A' ' 110' ' ' LEU . 20.8 mmtm -55.79 -33.77 64.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.9 -48.91 51.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.986 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -55.55 -46.37 77.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.6 mmpp? -71.25 -41.71 69.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.88 -42.03 71.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -41.37 73.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 98.0 t -72.27 -36.81 56.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.206 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.433 HD11 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -66.96 -51.28 57.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.5 ' HA ' HD13 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -64.5 -44.22 91.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -58.39 -52.83 63.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -57.45 -47.94 80.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.478 HG22 HD12 ' A' ' 129' ' ' ILE . 29.6 m -54.18 -48.17 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -63.0 -35.31 79.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.54 HG22 HD11 ' A' ' 131' ' ' ILE . 4.7 m -65.43 -56.36 12.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.065 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.577 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -61.18 -34.02 74.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.478 HD12 HG22 ' A' ' 125' ' ' THR . 53.6 mt -69.99 -37.78 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.171 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -71.36 -37.37 71.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.54 HD11 HG22 ' A' ' 127' ' ' THR . 8.4 mt -68.84 -49.72 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.072 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.556 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.5 m-85 -65.64 -46.2 80.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -62.38 -41.5 98.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -63.17 -52.9 60.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.95 -52.23 66.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.812 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 132' ' ' PHE . 88.5 t -59.71 -50.38 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -52.4 -44.88 65.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.09 -32.58 70.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.29 -42.09 72.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -144.79 -75.58 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.65 -178.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.459 HD11 ' OG ' ' A' ' 93' ' ' SER . 6.0 tp -177.3 139.13 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.426 ' H ' HD12 ' A' ' 142' ' ' ILE . 6.4 m -152.68 169.47 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.208 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.77 HD22 HD22 ' A' ' 97' ' ' LEU . 6.2 tt -173.64 135.62 0.66 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.632 0.73 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.633 ' N ' HD23 ' A' ' 144' ' ' LEU . 54.5 Cg_endo -69.71 -84.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.741 2.294 . . . . 0.0 112.341 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -176.94 159.27 1.48 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.576 0.703 . . . . 0.0 111.179 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.502 ' HD2' HG22 ' A' ' 146' ' ' THR . 53.5 Cg_endo -69.75 166.5 27.39 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.701 2.268 . . . . 0.0 112.311 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.6 tt -129.55 -38.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.687 ' O ' HD12 ' A' ' 153' ' ' LEU . 0.3 OUTLIER -58.09 -23.32 54.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.778 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -51.07 -47.79 61.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.02 -35.82 75.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 42.4 mt -65.63 -57.54 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.687 HD12 ' O ' ' A' ' 149' ' ' SER . 1.2 mp -54.33 -52.57 61.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 67.8 p -58.9 -39.92 82.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.24 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -64.3 -45.55 87.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -89.79 -170.5 2.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.3 mp 63.15 167.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -139.04 173.22 11.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.6 p -65.71 -38.12 88.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -111.51 113.46 25.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -172.7 138.2 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.966 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -116.85 -44.16 2.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 30.8 p90 -97.03 178.87 5.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 71.33 -69.99 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.837 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -52.27 -30.78 29.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 3.8 m -50.69 -26.43 5.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -69.71 -68.87 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.5 m -48.46 -45.76 37.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.8 mm -61.88 -49.97 82.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -62.04 -29.43 70.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -55.26 10.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.592 HD12 ' HB3' ' A' ' 102' ' ' TYR . 21.1 pt -60.94 -35.92 68.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.627 HD23 ' HA ' ' A' ' 45' ' ' ARG . 0.9 OUTLIER -66.78 -51.88 50.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -57.3 -48.47 78.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.91 -41.85 96.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.516 HD11 HD11 ' A' ' 180' ' ' LEU . 7.8 tp -58.95 -58.15 9.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.563 ' OE1' HG22 ' A' ' 42' ' ' VAL . 1.5 tt0 -52.92 -52.13 58.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.583 ' O ' HG23 ' A' ' 182' ' ' VAL . 68.0 mt-10 -57.81 -46.41 84.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.95 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -62.57 -31.15 71.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.929 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.516 HD11 HD11 ' A' ' 176' ' ' LEU . 37.0 mt -69.8 -56.65 6.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 181' ' ' LYS . . . . . 0.485 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -56.69 -42.17 78.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.961 179.777 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.632 HG11 ' HB ' ' A' ' 72' ' ' ILE . 82.1 t -63.92 -52.83 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.006 0.432 . . . . 0.0 111.198 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 83.6 m -53.26 -46.9 69.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.175 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.414 ' C ' HD13 ' A' ' 184' ' ' LEU . 2.1 tm? -61.44 -52.35 64.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -59.41 -31.73 69.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 35.4 t -70.1 -50.29 42.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 184' ' ' LEU . 10.0 t -67.88 -24.69 65.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.103 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -54.95 -59.06 5.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -179.6 -34.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 21.0 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 -179.924 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.5 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.904 0.383 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -140.75 73.46 1.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.4 p -70.78 150.54 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.8 mmt85 -124.83 154.75 40.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -75.7 -179.59 4.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.24 49.64 1.21 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.441 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -125.03 132.34 53.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.87 0.367 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -128.97 -175.62 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 t -120.24 -39.2 2.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -148.12 156.59 42.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -177.55 77.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.9 p -77.7 100.53 6.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.174 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.91 159.88 60.49 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.541 0.686 . . . . 0.0 111.169 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -170.83 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.682 2.254 . . . . 0.0 112.314 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.25 -50.34 3.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 50.67 77.22 0.47 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.619 0.723 . . . . 0.0 110.933 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 86.89 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.609 2.206 . . . . 0.0 112.337 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.76 -15.48 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.209 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 57.2 33.86 23.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.711 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -110.71 166.99 10.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.2 p -51.5 -46.2 63.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.199 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.9 m -56.81 -51.51 68.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -61.66 -39.29 90.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 26' ' ' THR . 97.9 t -62.01 -54.21 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.706 ' O ' HG23 ' A' ' 35' ' ' THR . . . -57.99 -51.77 56.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.8 -41.72 94.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.568 HD21 HD23 ' A' ' 128' ' ' LEU . 0.6 OUTLIER -64.15 -50.89 66.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.343 . . . . 0.0 110.973 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.565 HG22 HD12 ' A' ' 38' ' ' LEU . 20.9 mm -53.95 -44.02 60.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.706 HG23 ' O ' ' A' ' 31' ' ' GLY . 31.1 p -64.7 -45.29 87.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -62.61 -55.26 28.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.779 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.583 HG22 HD11 ' A' ' 41' ' ' ILE . 9.6 p -59.24 -33.89 52.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.617 HD21 ' HB3' ' A' ' 180' ' ' LEU . 10.7 mt -64.77 -48.48 74.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.977 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -63.4 -41.03 98.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -62.4 -46.07 90.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.583 HD11 HG22 ' A' ' 37' ' ' VAL . 26.4 mt -60.83 -48.0 90.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.16 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 38' ' ' LEU . 90.4 t -57.32 -52.76 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -57.76 -44.13 85.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.412 ' O ' HD13 ' A' ' 48' ' ' LEU . 4.7 ttp -66.57 -31.8 72.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.831 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.668 ' HA ' HD23 ' A' ' 173' ' ' LEU . 0.1 OUTLIER -73.58 -51.27 17.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.54 -28.66 66.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -54.62 -41.2 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.816 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.46 HD12 ' HE3' ' A' ' 114' ' ' LYS . 9.0 mp -53.94 -28.2 35.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.4 m -96.48 32.02 2.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t30 61.49 26.7 16.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.03 42.18 94.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.447 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -99.78 107.38 19.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.338 . . . . 0.0 110.83 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.0 m -52.94 -30.57 35.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -43.45 98.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.828 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -54.1 -33.75 58.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.5 mtp -56.93 -32.09 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -121.54 26.54 8.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -93.11 -57.25 2.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -98.92 26.61 5.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -103.17 27.76 6.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.47 -32.76 6.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.24 -37.3 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.401 ' HB1' ' CE1' ' A' ' 171' ' ' PHE . . . -55.01 -40.97 70.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.417 ' HA ' HD12 ' A' ' 67' ' ' LEU . 10.8 tt0 -55.69 -26.24 43.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -107.09 26.3 10.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -150.55 25.16 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 64' ' ' GLU . 1.2 mt -97.77 -50.79 4.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.68 21.92 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.978 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.447 HD23 ' HE1' ' A' ' 99' ' ' TYR . 6.6 mp -83.97 160.64 57.52 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.556 0.693 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.84 78.72 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.742 2.294 . . . . 0.0 112.245 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.92 153.24 30.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.2 mt -70.34 125.77 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -119.43 -41.42 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -153.6 74.92 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -172.61 120.88 0.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -151.39 28.67 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.44 89.19 2.08 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 15.9 p -116.8 128.81 55.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.363 . . . . 0.0 110.937 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -165.74 -44.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.39 143.27 32.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.9 t -172.87 -37.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 164.12 -99.88 0.17 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.5 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -133.25 43.1 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 110.869 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -161.84 98.91 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -79.5 152.48 30.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.2 pt-20 -137.44 177.79 7.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 15.8 tt -117.11 141.02 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 16.9 m -109.54 156.84 19.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.1 mp -97.23 33.69 1.92 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.85 115.38 10.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -106.43 -74.28 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.4 mt 70.98 -69.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.237 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.9 m -51.14 -48.06 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 m -61.33 -52.29 65.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.37 -51.06 59.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.771 HD12 HD11 ' A' ' 129' ' ' ILE . 3.0 mm? -55.44 -49.41 72.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 110.931 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.652 ' HG ' HD21 ' A' ' 144' ' ' LEU . 1.4 mm? -55.39 -49.35 72.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -55.28 34.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.447 ' HE1' HD23 ' A' ' 69' ' ' LEU . 24.0 m-85 -57.12 -42.93 81.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -55.71 -48.96 74.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.9 -39.94 95.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.789 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.409 ' HB3' HD12 ' A' ' 172' ' ' ILE . 16.0 m-85 -61.6 -64.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 104' ' ' GLU . 3.7 pp -54.17 -37.46 64.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.468 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.7 mm-40 -63.66 -40.5 96.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.531 ' CE1' HG23 ' A' ' 154' ' ' THR . 5.9 t80 -66.68 -52.3 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.9 ptm -65.94 -25.99 67.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -27.73 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.38 -37.96 82.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -127.67 97.73 4.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.688 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.9 mt -145.45 178.02 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -77.23 -175.92 3.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.84 -51.25 67.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -72.22 -47.74 48.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.688 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.4 mmtm -55.59 -34.59 64.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.921 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.65 -45.2 75.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -46.03 92.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.813 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -71.66 -32.6 68.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.08 -39.06 86.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -62.36 -50.42 71.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.25 -35.55 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.165 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.407 HD21 ' HA ' ' A' ' 41' ' ' ILE . 1.9 mp -62.61 -50.27 71.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.996 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -48.7 78.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.943 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -53.71 -52.89 58.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.424 ' HA ' HD11 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -56.72 -52.86 63.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.824 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.572 HG22 ' CD1' ' A' ' 129' ' ' ILE . 12.8 m -51.76 -40.63 60.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -68.27 -37.34 80.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.48 ' O ' HD12 ' A' ' 131' ' ' ILE . 3.0 m -63.66 -56.75 13.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.164 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.568 HD23 HD21 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -59.6 -44.78 93.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.771 HD11 HD12 ' A' ' 96' ' ' LEU . 62.4 mt -59.8 -39.73 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -66.44 -45.54 79.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 127' ' ' THR . 6.0 mt -65.05 -46.61 90.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -65.75 -48.08 73.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -58.46 -43.46 88.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -64.45 -47.07 80.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -57.12 -52.0 67.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.15 -27.76 38.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -69.02 -39.26 79.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -77.54 -45.83 24.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.815 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 23.8 tp -68.04 -58.05 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.68 -169.84 1.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -121.73 129.53 52.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.6 tp -177.39 135.77 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.1 m -152.93 172.48 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.652 HD21 ' HG ' ' A' ' 97' ' ' LEU . 1.1 pp -150.44 154.73 36.09 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 0.0 110.79 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.525 ' O ' HG23 ' A' ' 146' ' ' THR . 53.0 Cg_endo -69.91 -86.7 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.271 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -176.25 159.27 1.76 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.589 0.709 . . . . 0.0 111.095 -179.847 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.488 ' HD2' HG22 ' A' ' 146' ' ' THR . 53.9 Cg_endo -69.77 146.94 61.66 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.598 2.199 . . . . 0.0 112.397 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 1.1 tt -116.81 -25.03 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 20.1 m -52.0 -30.23 24.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -51.49 -50.96 58.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -52.03 -46.49 65.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.12 -49.39 77.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.514 HD23 ' CE2' ' A' ' 105' ' ' TYR . 0.6 OUTLIER -53.72 -61.61 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.531 HG23 ' CE1' ' A' ' 105' ' ' TYR . 0.2 OUTLIER -53.85 -39.83 65.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -56.28 -34.73 66.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -102.41 107.11 17.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 6.3 tp -136.67 131.23 33.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 52.47 77.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.37 -61.0 1.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.824 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.6 138.14 20.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 56.88 -177.57 0.05 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -119.87 33.07 5.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -138.34 35.27 2.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.6 tp -104.9 -49.52 3.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -37.08 57.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.22 -26.87 12.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -69.44 -69.89 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 34.7 m -49.03 -44.46 41.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.3 -48.71 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -61.85 -29.01 69.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 0.401 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -71.45 -55.48 7.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.859 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.409 HD12 ' HB3' ' A' ' 102' ' ' TYR . 17.9 pt -59.15 -37.17 66.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.668 HD23 ' HA ' ' A' ' 45' ' ' ARG . 0.9 OUTLIER -67.88 -51.1 52.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -59.56 -51.92 67.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 47.2 p -58.98 -44.66 91.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.824 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.0 tp -56.24 -58.06 9.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.403 ' HG3' HG22 ' A' ' 42' ' ' VAL . 6.4 tm-20 -52.88 -54.34 36.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 182' ' ' VAL . 0.8 OUTLIER -52.96 -49.99 64.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.903 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -60.92 -30.96 70.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.617 ' HB3' HD21 ' A' ' 38' ' ' LEU . 1.2 tp -67.58 -59.11 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -55.89 -43.87 77.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 178' ' ' GLU . 98.8 t -62.03 -46.21 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.471 ' O ' HG22 ' A' ' 187' ' ' THR . 88.2 m -64.84 -31.31 72.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.493 ' HG ' HG21 ' A' ' 34' ' ' ILE . 1.5 tm? -70.7 -47.96 57.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -74.48 -24.4 59.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.0 m -77.4 -52.11 9.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 183' ' ' THR . 14.6 t -63.32 -24.02 67.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.061 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -75.87 -28.25 58.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 41.4 84.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 8.3 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 -179.897 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -158.83 121.16 3.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 p -72.04 145.36 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.185 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.18 144.48 43.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -91.27 168.16 11.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.05 53.66 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.34 171.55 7.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 0.0 110.771 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.66 -172.78 2.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 t -119.77 -33.45 4.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 62.15 176.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -170.8 41.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.9 p -132.84 120.7 21.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -139.36 159.62 65.23 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.497 0.665 . . . . 0.0 111.229 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.75 -179.07 2.65 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.73 2.287 . . . . 0.0 112.431 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -69.44 -49.53 54.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -122.23 155.54 61.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.654 0.74 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 120.41 7.19 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.656 2.237 . . . . 0.0 112.341 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.726 HG13 HG22 ' A' ' 26' ' ' THR . 7.5 p -91.55 -19.24 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 61.25 58.56 2.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.726 HG22 HG13 ' A' ' 24' ' ' VAL . 9.3 t -123.29 167.23 14.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.13 -44.5 52.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -51.72 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.444 ' H ' HG23 ' A' ' 26' ' ' THR . 0.0 OUTLIER -61.72 -41.19 97.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 26' ' ' THR . 58.3 t -61.25 -54.24 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.168 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.73 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.82 -51.87 54.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.8 -41.59 94.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.3 -46.28 87.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.547 HG13 HD23 ' A' ' 184' ' ' LEU . 26.1 mm -58.97 -41.83 84.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 31' ' ' GLY . 25.3 p -65.1 -43.99 90.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.195 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -61.7 -55.17 33.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.645 HG22 HD11 ' A' ' 41' ' ' ILE . 13.9 p -59.31 -35.52 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.064 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.559 ' O ' HG23 ' A' ' 42' ' ' VAL . 10.1 mt -62.51 -48.81 77.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -63.18 -42.16 99.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.85 -45.24 95.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.645 HD11 HG22 ' A' ' 37' ' ' VAL . 22.7 mt -61.54 -46.9 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.224 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 38' ' ' LEU . 88.4 t -58.23 -46.26 88.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.038 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -43.76 83.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.2 ttt -65.22 -31.9 73.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.711 ' HA ' HD23 ' A' ' 173' ' ' LEU . 16.3 ttp85 -72.57 -51.18 20.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.837 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -28.76 66.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.5 -36.05 66.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.461 HD12 ' NZ ' ' A' ' 114' ' ' LYS . 7.9 mp -59.3 -26.27 64.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.57 29.78 5.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.4 t30 61.61 36.4 16.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.69 48.18 83.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.452 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -98.79 107.33 19.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.859 0.362 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 98.1 p -57.77 -31.5 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.78 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -35.39 74.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.7 t -57.06 -26.61 60.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.4 mtp -62.17 -51.56 67.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.964 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -104.24 36.89 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -90.98 -52.54 4.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -105.98 35.58 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 55.6 p-10 -96.64 26.22 4.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.787 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.29 -29.68 10.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.059 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.81 -33.39 4.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.54 -29.87 70.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -62.08 -26.89 68.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -121.09 33.04 5.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.955 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -146.29 26.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.784 HD22 HD12 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -99.59 -50.59 4.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.52 24.84 9.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.784 HD12 HD22 ' A' ' 67' ' ' LEU . 20.4 mt -84.08 159.3 60.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.652 0.739 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 81.32 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.696 2.264 . . . . 0.0 112.318 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -111.88 160.82 17.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.2 mt -73.75 142.06 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.06 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -159.57 31.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.985 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -70.97 145.44 50.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -101.4 -170.35 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.05 106.55 5.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.69 151.71 6.08 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.6 t -165.49 -45.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.952 0.406 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -121.24 -39.6 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.07 -52.81 48.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.1 m 71.31 -69.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.01 -143.76 43.81 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -78.37 -30.93 48.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.882 0.372 . . . . 0.0 110.975 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -85.12 179.61 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -141.3 119.55 12.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -157.79 107.17 2.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.414 HD12 ' HB2' ' A' ' 89' ' ' LEU . 5.7 pt -78.14 164.2 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.6 m -93.33 -64.71 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.414 ' HB2' HD12 ' A' ' 87' ' ' ILE . 9.0 tp 63.27 26.01 14.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.9 mt -57.69 116.75 3.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -99.54 -66.95 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.5 mt 71.67 -66.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.14 -42.32 50.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.807 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 94.9 p -60.65 -50.68 72.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.04 -52.33 53.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.693 HD13 HD11 ' A' ' 128' ' ' LEU . 26.7 mt -62.61 -33.74 75.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.886 0.374 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.629 HD21 HD21 ' A' ' 144' ' ' LEU . 16.4 tp -64.79 -49.43 70.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.06 -49.44 75.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.83 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.513 ' HB3' HD13 ' A' ' 176' ' ' LEU . 20.9 m-85 -58.2 -43.49 87.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.964 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.465 ' HA ' HD21 ' A' ' 103' ' ' LEU . 40.7 t-80 -60.63 -45.16 95.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 t -62.98 -39.7 95.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.459 ' HB3' HD12 ' A' ' 172' ' ' ILE . 20.6 m-85 -64.36 -64.5 0.86 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 104' ' ' GLU . 3.6 pp -51.77 -39.33 58.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.533 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.9 mm-40 -63.69 -43.4 96.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.401 ' CE1' HG22 ' A' ' 154' ' ' THR . 7.3 t80 -62.38 -41.31 98.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 33.6 ttp -68.79 -37.99 79.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -52.33 -33.71 43.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.72 -37.48 79.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -121.21 89.88 3.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.667 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.0 mt -149.02 177.67 9.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -77.29 -175.91 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.99 -51.09 68.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -72.55 -46.88 52.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.667 ' CB ' HD22 ' A' ' 110' ' ' LEU . 13.4 mmtt -55.77 -37.81 69.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.941 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -68.11 -48.38 65.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.66 -48.37 72.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -71.57 -38.34 70.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.78 -46.77 74.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -55.42 -43.63 75.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 64.1 t -67.14 -35.3 73.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.2 -51.04 63.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -63.38 -42.74 98.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 21.7 ttp85 -58.99 -53.61 56.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -56.99 -49.26 76.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.676 HG22 ' CD1' ' A' ' 129' ' ' ILE . 12.2 m -56.63 -46.22 81.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.11 -33.67 74.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.45 HG22 HD11 ' A' ' 131' ' ' ILE . 4.8 m -67.62 -56.41 9.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.693 HD11 HD13 ' A' ' 96' ' ' LEU . 1.1 pp -60.31 -33.68 72.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.966 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.676 ' CD1' HG22 ' A' ' 125' ' ' THR . 65.2 mt -69.77 -44.2 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -63.64 -41.03 98.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.45 HD11 HG22 ' A' ' 127' ' ' THR . 9.1 mt -66.16 -52.92 42.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.548 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.6 m-85 -62.53 -49.5 75.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -58.63 -40.58 83.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -62.3 -53.21 58.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.92 -49.55 77.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 132' ' ' PHE . 96.9 t -61.26 -35.35 65.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.08 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -69.07 -40.19 78.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -69.91 -35.56 74.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.8 tp -77.81 -58.06 3.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.57 -169.74 2.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.805 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -89.53 -170.48 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.413 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.78 144.09 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.145 179.858 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.413 ' N ' HD13 ' A' ' 142' ' ' ILE . 14.1 t -119.05 153.12 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.629 HD21 HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -96.4 138.8 21.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.632 0.73 . . . . 0.0 110.887 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.9 -42.35 3.33 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.687 2.258 . . . . 0.0 112.271 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.529 ' H ' HD23 ' A' ' 144' ' ' LEU . 1.7 m 65.08 67.47 0.8 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.633 0.73 . . . . 0.0 111.166 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 155.89 64.96 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.699 2.266 . . . . 0.0 112.384 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.6 tt -117.76 -15.72 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.177 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.737 ' O ' HD12 ' A' ' 153' ' ' LEU . 8.7 m -51.82 -30.58 23.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.803 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ASN . . . . . 0.45 ' O ' HG23 ' A' ' 154' ' ' THR . 2.8 p-10 -51.38 -43.33 61.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -62.59 -35.3 79.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.38 -53.13 25.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.737 HD12 ' O ' ' A' ' 149' ' ' SER . 1.3 mp -57.13 -50.65 72.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 150' ' ' ASN . 60.8 p -62.2 -41.05 97.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -56.72 -40.87 76.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.0 163.13 2.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.97 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.9 mp -105.1 -176.75 3.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -123.08 155.44 36.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 50.3 m 58.7 -176.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 59.81 28.3 17.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.978 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.48 172.36 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -163.79 168.57 19.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 33.0 m95 52.32 57.57 6.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.4 -53.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -43.9 79.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -26.63 9.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -69.68 -69.75 0.33 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 92.2 m -48.8 -45.9 40.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.435 HG21 HD21 ' A' ' 48' ' ' LEU . 1.7 mp -60.73 -51.18 76.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -61.43 -27.77 68.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.97 -55.37 8.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.459 HD12 ' HB3' ' A' ' 102' ' ' TYR . 21.0 pt -60.89 -36.17 69.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.115 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.711 HD23 ' HA ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -67.83 -52.53 35.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -57.88 -52.14 66.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -44.55 92.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.522 HD22 HD23 ' A' ' 103' ' ' LEU . 12.1 tp -56.86 -52.62 64.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.41 -57.08 13.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.604 ' O ' HG23 ' A' ' 182' ' ' VAL . 7.6 mt-10 -53.46 -50.06 66.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.5 -30.84 69.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.779 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.541 ' HB3' HD21 ' A' ' 38' ' ' LEU . 1.5 mt -68.09 -60.54 2.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.9 ptpm? -53.79 -42.64 68.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 178' ' ' GLU . 96.3 t -63.09 -48.91 85.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 97.1 m -60.46 -32.32 71.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.547 HD23 HG13 ' A' ' 34' ' ' ILE . 2.7 tm? -70.44 -55.98 7.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -19.81 65.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.801 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 5.6 m -79.83 -48.55 13.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.5 t -69.56 -24.9 63.77 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.215 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -70.82 -36.81 73.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 64.29 106.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.151 -179.858 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.868 0.366 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 60.83 84.99 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.1 t -92.91 131.21 40.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.57 110.15 22.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.1 mtm180 -67.37 167.02 13.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.31 41.18 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.444 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -61.99 112.17 2.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.931 0.396 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.13 170.15 9.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.7 t -116.36 -29.37 6.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.195 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -53.91 157.57 2.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -156.34 73.87 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 t -77.89 164.44 25.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.02 159.64 47.97 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.495 0.664 . . . . 0.0 111.164 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 177.38 5.65 Favored 'Trans proline' 0 C--N 1.34 0.107 0 C-N-CA 122.637 2.225 . . . . 0.0 112.328 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -153.43 47.84 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 61.61 161.0 0.11 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.832 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 81.01 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.626 2.217 . . . . 0.0 112.367 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.2 t -88.21 -18.34 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 63.77 41.97 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.583 ' O ' HG23 ' A' ' 30' ' ' VAL . 2.1 t -109.76 156.97 19.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -52.42 -49.96 63.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.75 -51.64 54.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 -179.877 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.571 ' H ' HG23 ' A' ' 26' ' ' THR . 0.9 OUTLIER -61.01 -41.4 96.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.963 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 26' ' ' THR . 96.3 t -61.41 -54.39 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.691 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.07 -52.08 51.52 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.492 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.59 -43.15 94.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.551 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.8 OUTLIER -63.31 -49.3 74.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.737 0.303 . . . . 0.0 110.834 -179.889 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.585 ' O ' HD23 ' A' ' 38' ' ' LEU . 22.1 mm -54.12 -44.45 63.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.167 179.873 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 31' ' ' GLY . 29.1 p -64.93 -44.2 90.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.172 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -59.0 -55.19 38.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.698 HG22 ' CD1' ' A' ' 41' ' ' ILE . 11.4 p -60.06 -35.34 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.1 mm? -60.71 -48.53 81.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.6 t90 -65.42 -42.82 92.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -60.88 -47.73 85.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.698 ' CD1' HG22 ' A' ' 37' ' ' VAL . 48.1 mt -60.14 -49.66 83.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 38' ' ' LEU . 83.0 t -54.62 -58.72 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.059 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -54.98 -45.87 75.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.8 ttp -60.55 -31.72 70.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -71.92 -51.21 23.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -67.89 -28.79 67.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -54.97 -40.07 69.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.79 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.1 mt -54.52 -28.49 45.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 71.0 m -97.83 32.86 2.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t30 62.75 26.81 15.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.81 37.22 61.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.443 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -98.5 103.89 15.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.0 p -55.61 -34.77 65.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -28.39 67.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.1 t -63.04 -29.21 70.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.8 mtp -69.09 -46.03 68.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -100.35 26.26 6.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -76.47 -54.42 6.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.529 ' CG ' HD21 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -135.02 26.21 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.814 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.484 ' HA ' ' HB3' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -75.53 -26.51 58.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.81 -32.16 30.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.529 HD21 ' CG ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -104.74 -33.56 8.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.927 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' A' ' 60' ' ' ASP . . . -53.92 -42.82 69.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.054 179.866 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -55.28 -26.46 40.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -108.53 26.29 10.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -131.54 25.42 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.39 129.44 55.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.85 22.06 16.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 mt -83.98 154.73 64.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.633 0.73 . . . . 0.0 110.931 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 119.55 6.48 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.75 2.3 . . . . 0.0 112.333 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -145.96 160.99 41.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.0 mp -84.98 110.9 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.087 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -140.4 126.73 19.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 52.06 64.05 2.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -106.37 117.74 34.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -88.59 -27.51 21.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.93 129.57 5.56 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.523 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 94.0 m -59.88 98.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.964 0.411 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -107.52 139.47 42.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.43 172.19 13.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.3 p -140.77 -45.44 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 133.11 -80.44 0.33 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.448 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.4 -178.35 4.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.932 0.396 . . . . 0.0 110.941 -179.736 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 t30 59.36 178.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -98.13 -174.25 2.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.801 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -167.05 -179.56 4.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.523 ' H ' HD13 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -143.41 174.64 4.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.235 179.936 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.31 -36.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 59.7 -179.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.4 mt -111.43 166.65 10.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.3 pttm -168.97 -177.52 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.2 mt 70.81 -69.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.05 -50.02 59.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.5 m -54.51 -52.23 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.59 -45.04 97.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.598 HD13 HG12 ' A' ' 129' ' ' ILE . 18.4 mt -56.74 -45.49 81.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.848 0.356 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.1 -49.17 75.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -56.56 -56.54 20.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.757 ' HB3' HD13 ' A' ' 176' ' ' LEU . 23.5 m-85 -54.2 -47.19 72.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.811 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -54.2 -48.55 70.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -37.5 86.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.775 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.526 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.9 m-85 -62.62 -64.52 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.403 HD23 HD22 ' A' ' 176' ' ' LEU . 1.5 pp -54.8 -36.97 65.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -66.8 -36.91 83.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.761 ' CE1' HG22 ' A' ' 154' ' ' THR . 13.1 t80 -68.28 -52.05 38.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.99 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.5 ptm -67.81 -30.83 70.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.86 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.611 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -53.94 -38.4 64.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.905 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.93 -37.42 79.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.97 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -115.84 89.25 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 107' ' ' LYS . 11.6 mt -149.14 177.92 9.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.37 -175.94 5.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.22 -51.19 68.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.91 -47.69 61.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.566 ' HB3' HD13 ' A' ' 110' ' ' LEU . 9.0 mttt -55.73 -36.48 67.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -53.0 26.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.896 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -52.02 -46.71 65.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -72.38 -36.89 68.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.07 -47.13 75.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.026 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -55.79 -41.04 73.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 84.5 t -70.85 -32.77 49.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.446 HD11 HG13 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -68.86 -52.12 33.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -34.42 78.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.993 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 34.1 mtp85 -66.04 -52.24 50.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -60.1 -45.05 94.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.7 HG22 ' CD1' ' A' ' 129' ' ' ILE . 24.7 m -57.81 -51.11 70.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.62 -39.27 80.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.0 m -63.86 -56.1 17.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.531 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -60.66 -31.01 70.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.953 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.7 ' CD1' HG22 ' A' ' 125' ' ' THR . 51.6 mt -70.44 -40.32 77.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.839 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.6 -38.18 73.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 39.1 mt -67.55 -51.03 55.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.17 -47.84 78.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -60.17 -41.79 93.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -63.46 -47.82 80.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.13 -52.11 66.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.8 m -66.69 -28.34 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.2 -40.3 78.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -75.58 -42.49 51.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.34 -58.01 4.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.15 -169.62 1.96 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.855 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.09 173.4 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.5 tp -176.33 143.87 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 21.7 t -144.89 150.09 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.06 179.871 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.97 137.48 12.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -86.8 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.731 2.287 . . . . 0.0 112.331 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 178.42 147.45 0.36 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.63 0.728 . . . . 0.0 111.144 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 127.2 14.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.739 2.292 . . . . 0.0 112.254 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 2.2 tt -116.91 -25.19 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.7 m -52.12 -44.8 64.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 150' ' ' ASN . . . . . 0.435 ' O ' HG23 ' A' ' 154' ' ' THR . 2.6 t30 -51.05 -46.49 61.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -57.37 -53.28 59.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.9 mp -51.99 -54.89 24.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.59 -63.68 1.06 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.761 HG22 ' CE1' ' A' ' 105' ' ' TYR . 52.5 p -51.18 -33.06 25.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -72.4 -35.83 68.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.936 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -71.84 -70.63 0.32 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.2 mp -100.15 168.46 9.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -158.61 -47.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.47 -170.14 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 63.19 169.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -118.65 -56.42 2.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 60.35 177.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 23.5 p-90 -121.13 26.7 8.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.24 -28.44 7.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -59.08 -27.55 65.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.69 -26.61 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -69.4 -68.97 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.8 m -48.6 -45.15 37.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.9 mm -62.83 -45.3 99.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -63.61 -30.84 71.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.07 -55.29 8.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.526 HD12 ' HB3' ' A' ' 102' ' ' TYR . 13.4 pt -59.02 -39.55 78.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.113 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.75 -46.61 71.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.483 ' HZ3' ' HB1' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -57.09 -52.06 66.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.778 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.3 t -61.4 -43.7 98.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.757 HD13 ' HB3' ' A' ' 99' ' ' TYR . 18.5 tp -53.98 -55.53 26.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.517 ' HG2' HD13 ' A' ' 38' ' ' LEU . 2.2 tm-20 -58.06 -54.11 50.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.64 ' O ' HG23 ' A' ' 182' ' ' VAL . 10.1 mt-10 -52.86 -41.79 64.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -62.31 -48.61 79.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 72.1 mt -56.32 -45.42 80.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 181' ' ' LYS . . . . . 0.56 ' HG2' HD11 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -61.19 -51.1 70.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 179.803 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 178' ' ' GLU . 58.6 t -58.58 -44.81 90.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 36.2 m -60.66 -43.35 97.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.422 HD23 HG13 ' A' ' 34' ' ' ILE . 1.1 tm? -61.64 -54.38 43.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 179.892 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -64.6 -25.97 68.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 11.0 t -71.93 -48.74 43.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 184' ' ' LEU . 8.9 t -68.04 -24.87 65.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -82.53 -26.81 32.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.976 179.907 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 63.3 16.68 9.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.849 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.798 0.332 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -122.74 97.86 5.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.8 t -86.07 138.83 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.077 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.62 109.92 19.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -67.33 174.03 3.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.98 -19.68 1.41 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.508 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.28 163.16 20.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -117.02 -176.19 2.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.997 0.427 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.5 t -111.29 -29.27 7.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.097 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.96 152.1 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -171.18 54.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 t -135.74 148.38 48.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.76 159.68 67.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.531 0.681 . . . . 0.0 111.135 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -170.75 0.41 Allowed 'Trans proline' 0 N--CA 1.466 -0.108 0 C-N-CA 122.76 2.307 . . . . 0.0 112.291 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -94.22 39.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 mtt85 -118.88 73.88 12.45 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.582 0.706 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 85.98 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.721 2.28 . . . . 0.0 112.322 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -67.33 -13.47 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 63.55 28.77 15.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 30' ' ' VAL . 1.3 p -98.58 170.96 8.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -51.75 -43.84 63.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.099 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -51.47 66.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -39.64 91.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 26' ' ' THR . 96.9 t -63.73 -54.11 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.674 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.2 -51.81 53.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.448 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.39 -37.43 94.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.569 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.546 HD13 HG21 ' A' ' 127' ' ' THR . 0.7 OUTLIER -65.48 -47.37 76.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 110.903 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.5 mt -62.14 -41.07 89.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 179.856 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 31' ' ' GLY . 59.5 p -64.61 -44.47 90.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.05 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -62.04 -55.17 31.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.632 HG22 HD11 ' A' ' 41' ' ' ILE . 13.6 p -59.73 -34.36 55.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.592 ' O ' HG23 ' A' ' 42' ' ' VAL . 13.2 mt -64.26 -48.13 76.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -63.92 -40.79 97.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -62.67 -45.81 91.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.982 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.632 HD11 HG22 ' A' ' 37' ' ' VAL . 26.8 mt -61.8 -46.95 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.08 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 38' ' ' LEU . 91.3 t -59.14 -46.4 92.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.15 -43.4 82.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.628 ' SD ' HD21 ' A' ' 173' ' ' LEU . 0.0 OUTLIER -65.44 -32.22 73.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.578 ' HA ' HD23 ' A' ' 173' ' ' LEU . 6.9 ttp180 -72.86 -51.18 19.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.773 -179.751 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -69.22 -28.73 66.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.996 179.936 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -59.62 -34.66 73.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.7 mt -54.06 -32.2 53.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.4 36.2 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 58.59 26.26 14.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.59 41.53 93.99 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -91.0 107.64 19.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.1 p -56.3 -26.68 53.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.946 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.14 -26.33 61.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.842 179.898 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -66.52 -26.77 67.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.6 mtp -64.76 -41.22 96.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -111.19 27.08 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -79.35 -64.74 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.815 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.0 23.38 13.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.57 26.98 4.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.54 -31.49 12.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.1 -26.59 7.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.486 ' HB1' ' CE1' ' A' ' 171' ' ' PHE . . . -60.6 -33.1 72.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.1 179.785 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -52.16 -30.53 27.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -116.28 30.15 7.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -143.26 30.13 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.792 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.56 HD22 HD12 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -101.23 -50.7 3.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 56.47 24.78 8.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.845 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.56 HD12 HD22 ' A' ' 67' ' ' LEU . 20.4 mt -81.72 159.25 66.81 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.633 0.73 . . . . 0.0 110.967 179.905 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 97.62 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.685 2.257 . . . . 0.0 112.286 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -146.49 147.33 31.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.438 HG23 HD22 ' A' ' 90' ' ' LEU . 2.7 mp -53.04 117.29 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -114.44 -64.1 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.429 ' O ' HD21 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -52.29 105.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.884 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -131.43 86.28 2.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -150.99 166.32 31.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -90.52 92.86 1.8 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.3 m -55.41 -64.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.368 . . . . 0.0 110.896 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -52.71 115.67 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 171.61 -48.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.1 m 54.66 81.17 0.11 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.19 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.41 70.18 0.5 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.514 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 52.65 55.61 8.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.922 0.392 . . . . 0.0 110.959 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.63 165.14 37.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -144.76 101.52 3.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -130.62 172.78 11.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 60.5 mt -137.9 116.08 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 -179.908 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 98.7 m -82.72 101.94 11.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -128.47 123.19 33.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 89' ' ' LEU . 8.7 mt -131.77 149.73 52.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.953 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -98.5 -74.7 0.58 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.749 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.1 mt 70.91 -69.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 t -51.52 -50.2 60.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.9 t -56.19 -52.33 64.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.46 -45.91 94.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.581 HD13 HG12 ' A' ' 129' ' ' ILE . 20.8 mt -55.47 -50.33 70.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 -179.836 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.648 HD22 HD11 ' A' ' 144' ' ' LEU . 0.6 OUTLIER -59.0 -49.01 79.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.866 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -51.69 64.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -57.95 -46.44 85.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.91 -179.81 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -54.63 -47.38 73.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 p -64.34 -39.08 93.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.563 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.9 m-85 -60.59 -64.04 1.09 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.873 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 pp -54.86 -40.76 70.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.23 -34.05 77.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.575 ' CE1' HG22 ' A' ' 154' ' ' THR . 15.3 t80 -70.39 -52.06 25.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.986 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 8.4 ptm -68.76 -26.0 65.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.916 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -65.1 -30.37 71.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -59.94 -40.65 89.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -120.55 93.64 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.685 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.1 mt -147.63 178.03 8.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -78.64 -176.04 4.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -63.15 -51.17 67.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -71.22 -47.58 56.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.685 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.6 mmtm -55.72 -37.86 68.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -69.98 -49.5 50.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.815 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.45 -48.06 66.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.913 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -72.28 -37.47 69.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.86 -45.13 74.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.846 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -55.67 -49.7 72.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.1 t -60.81 -40.29 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.139 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.549 HD11 HG13 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -61.49 -49.57 76.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.0 tm0? -58.8 -51.31 70.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -53.8 -53.33 53.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -54.2 -45.97 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.685 HG22 ' CD1' ' A' ' 129' ' ' ILE . 10.5 m -56.52 -51.08 69.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -63.07 -28.46 70.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.546 HG21 HD13 ' A' ' 33' ' ' LEU . 96.8 m -69.61 -56.5 7.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.109 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 pp -62.72 -34.93 78.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.685 ' CD1' HG22 ' A' ' 125' ' ' THR . 80.0 mt -69.99 -42.15 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -65.42 -42.23 92.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 43.1 mt -65.98 -50.62 68.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -63.61 -49.62 72.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -59.41 -39.41 83.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -64.23 -49.43 71.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -57.89 -52.14 66.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.3 m -65.13 -30.45 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -43.44 83.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.87 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -76.98 -30.12 55.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -54.91 29.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.878 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -136.69 -75.89 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.1 tttp 179.86 166.02 1.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.9 tp -177.79 130.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 5.5 m -153.16 151.4 11.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.175 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.648 HD11 HD22 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -152.97 154.61 31.29 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.527 ' O ' HG23 ' A' ' 146' ' ' THR . 53.8 Cg_endo -69.7 -87.19 0.0 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.206 0 C-N-CA 122.709 2.273 . . . . 0.0 112.389 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -179.13 159.12 0.96 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.669 0.747 . . . . 0.0 111.125 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.554 ' HD3' HD23 ' A' ' 97' ' ' LEU . 53.8 Cg_endo -69.71 145.8 58.56 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.706 2.271 . . . . 0.0 112.323 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 4.1 pt -119.19 -28.47 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.22 -32.47 16.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -51.05 -40.55 58.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.23 77.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 14.9 mt -56.97 -50.24 73.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.35 -62.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.575 HG22 ' CE1' ' A' ' 105' ' ' TYR . 42.6 p -52.03 -32.92 36.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.036 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -45.51 76.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.838 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -52.09 157.33 1.35 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.6 mp -137.16 -174.98 3.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.015 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 57.57 92.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 28.6 t -143.49 69.31 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -108.19 -65.71 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -62.38 177.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.986 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.63 79.32 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -170.21 165.38 9.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 10.8 tp 72.51 -67.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -54.43 -28.42 43.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.75 -26.37 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -69.75 -68.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.6 m -48.58 -45.69 38.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.8 mm -61.77 -50.15 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.235 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -62.25 -27.97 69.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 0.486 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -71.01 -55.34 8.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.943 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.563 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.9 pt -60.54 -37.08 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.628 HD21 ' SD ' ' A' ' 44' ' ' MET . 1.0 OUTLIER -67.4 -51.34 53.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.94 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -56.21 -50.65 70.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 23.0 p -59.91 -46.6 88.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.8 tp -53.38 -55.04 28.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.21 -55.06 37.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 182' ' ' VAL . 13.1 mm-40 -53.08 -41.85 65.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -60.02 -51.65 68.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.454 ' HB3' HD21 ' A' ' 38' ' ' LEU . 1.3 mp -55.43 -49.84 71.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 181' ' ' LYS . . . . . 0.481 ' HE2' HD22 ' A' ' 38' ' ' LEU . 11.5 mttt -55.3 -50.41 69.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 178' ' ' GLU . 82.3 t -60.94 -49.36 85.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.053 179.923 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 95.6 m -51.45 -47.58 63.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 -179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.552 ' HA ' HG22 ' A' ' 187' ' ' THR . 9.4 tp -68.51 -35.64 77.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.988 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -65.96 -29.73 70.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 47.6 t -82.48 -52.13 7.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.779 -179.744 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.552 HG22 ' HA ' ' A' ' 184' ' ' LEU . 10.8 t -61.4 -18.24 57.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 -179.849 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -75.03 169.55 17.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.41 -29.51 12.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 -179.978 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.896 0.379 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -109.44 80.13 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.7 p -116.92 148.8 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.73 143.72 46.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.4 mtt-85 -53.59 156.81 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.19 53.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -56.36 103.1 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.842 0.353 . . . . 0.0 110.831 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -53.1 164.98 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.7 t -92.41 -25.7 18.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.84 170.76 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -113.54 38.6 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.0 p -108.22 149.63 28.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.21 159.7 65.8 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.6 0.714 . . . . 0.0 111.156 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.88 -173.36 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.617 2.211 . . . . 0.0 112.359 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -84.22 -34.98 23.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.6 157.09 66.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.504 0.669 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 134.44 28.11 Favored 'Trans proline' 0 C--N 1.34 0.102 0 C-N-CA 122.74 2.293 . . . . 0.0 112.257 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.8 t -117.41 -15.36 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.155 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 63.68 54.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.538 HG23 ' H ' ' A' ' 29' ' ' GLN . 2.7 t -114.77 159.77 20.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.0 p -51.21 -43.73 61.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.18 -51.75 66.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.813 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.538 ' H ' HG23 ' A' ' 26' ' ' THR . 1.1 tm0? -60.32 -42.63 96.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.3 t -62.21 -54.26 36.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.731 ' O ' HG23 ' A' ' 35' ' ' THR . . . -53.82 -52.39 42.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.46 -38.68 96.17 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.507 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.708 HD11 ' HB ' ' A' ' 127' ' ' THR . 10.5 tt -64.89 -42.81 94.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.767 0.317 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.513 HD13 ' HB2' ' A' ' 184' ' ' LEU . 96.8 mt -64.4 -41.59 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.02 0.438 . . . . 0.0 111.165 179.834 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 31' ' ' GLY . 34.3 p -63.86 -46.87 83.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.049 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -62.29 -55.21 30.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.597 HG22 HD11 ' A' ' 41' ' ' ILE . 7.5 p -59.31 -32.77 49.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.667 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.9 mt -65.64 -48.44 72.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.1 t90 -63.36 -42.45 98.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.76 -49.14 77.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.597 HD11 HG22 ' A' ' 37' ' ' VAL . 37.2 mt -58.46 -46.36 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 38' ' ' LEU . 93.7 t -58.62 -46.9 90.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 179.898 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -42.0 90.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.9 ttt -66.99 -32.04 73.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -51.03 22.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.4 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -70.25 -28.93 65.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.93 -35.58 61.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.467 HD12 ' HE3' ' A' ' 114' ' ' LYS . 9.5 mp -57.02 -27.08 61.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.61 27.79 8.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.1 t30 63.21 37.95 10.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.11 42.29 54.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -99.0 112.29 24.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.68 -27.32 39.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.01 -26.39 67.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.826 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.78 -28.13 36.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.4 mmm -72.74 -29.2 63.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -118.24 28.42 8.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -89.93 -63.87 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -111.52 24.19 13.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.894 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.94 -25.83 43.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.06 -24.75 47.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 pp -102.48 -26.01 13.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 59' ' ' ASP . . . -51.68 -30.78 23.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.155 179.828 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -27.29 37.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -112.75 25.59 11.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -147.18 24.68 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.83 -62.19 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.68 19.21 7.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.41 161.02 55.58 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.648 0.737 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.88 78.27 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.834 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -115.21 158.57 22.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.475 HG23 HD21 ' A' ' 90' ' ' LEU . 3.3 mt -70.71 114.19 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -120.94 88.51 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -179.3 178.83 0.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -72.36 -25.82 61.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 63.38 81.03 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 170.26 -58.85 0.19 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.441 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 69.28 -75.51 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.881 0.372 . . . . 0.0 110.923 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -136.71 171.5 14.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -82.56 178.66 8.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.75 -173.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.15 125.58 5.51 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.443 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -52.34 -74.04 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.923 0.392 . . . . 0.0 110.918 -179.821 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -173.24 52.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.828 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.401 ' HG3' HD21 ' A' ' 139' ' ' LEU . 0.3 OUTLIER -132.16 -74.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 61.47 168.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.81 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -152.56 72.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.3 39.8 2.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.41 102.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.475 HD21 HG23 ' A' ' 72' ' ' ILE . 6.7 mt -155.86 162.85 40.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.984 179.83 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.81 -74.95 0.6 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.86 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.7 mt 70.97 -69.16 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.32 -50.21 59.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 -179.906 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -56.33 -52.65 63.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.86 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.3 -50.93 62.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.0 mp -51.86 -46.98 64.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.343 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.717 HD22 HD12 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -60.81 -49.15 78.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.003 179.805 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -53.33 59.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.422 ' CB ' HD13 ' A' ' 176' ' ' LEU . 26.4 m-85 -54.25 -50.17 67.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.832 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.471 ' HA ' HD21 ' A' ' 103' ' ' LEU . 8.6 t-80 -54.29 -45.07 72.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.898 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 p -62.2 -39.73 93.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.737 ' HB3' HD12 ' A' ' 172' ' ' ILE . 22.7 m-85 -63.46 -63.85 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.8 pp -51.77 -38.53 55.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.568 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.3 mm-40 -67.63 -37.27 82.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -66.39 -44.47 82.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 -179.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.5 ttp -74.92 -30.96 61.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -60.64 -25.94 66.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -35.33 76.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -130.03 98.53 4.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.601 HD13 ' HB3' ' A' ' 114' ' ' LYS . 6.8 mt -148.9 173.78 12.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -68.03 -176.18 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -62.23 -51.16 68.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -75.96 -43.93 42.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.601 ' HB3' HD13 ' A' ' 110' ' ' LEU . 20.9 mmtm -55.86 -36.85 68.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -53.08 23.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -52.03 -45.95 64.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -72.52 -39.13 67.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.9 -44.0 73.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.069 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 25.9 ttt85 -55.84 -49.36 73.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 73.3 t -61.68 -43.19 96.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.64 -47.23 86.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.491 ' HA ' HD13 ' A' ' 103' ' ' LEU . 1.0 OUTLIER -60.72 -50.84 71.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.904 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -53.09 57.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -54.26 44.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.7 m -54.42 -48.66 71.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.133 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -54.58 -45.88 73.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.708 ' HB ' HD11 ' A' ' 33' ' ' LEU . 57.4 m -61.25 -56.07 24.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' ' 129' ' ' ILE . 0.1 OUTLIER -52.75 -51.74 59.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.884 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.623 ' N ' HD23 ' A' ' 128' ' ' LEU . 56.5 mt -61.15 -33.77 57.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -48.07 75.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 44.3 mt -65.66 -46.7 88.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -63.72 -50.01 70.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -59.29 -40.11 85.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -63.56 -48.93 75.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -58.23 -52.14 66.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.5 p -65.38 -30.9 51.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -65.96 -43.81 86.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -79.33 -26.77 42.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.803 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.401 HD21 ' HG3' ' A' ' 85' ' ' GLN . 15.0 tp -67.88 -57.99 5.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -134.87 -75.87 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.86 -169.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.466 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.72 145.97 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.835 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.466 ' N ' HD13 ' A' ' 142' ' ' ILE . 4.1 m -132.77 117.84 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.826 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.717 HD12 HD22 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -176.02 87.2 0.28 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.639 0.733 . . . . 0.0 110.93 179.914 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.524 ' O ' HG23 ' A' ' 146' ' ' THR . 55.0 Cg_endo -69.68 -43.56 2.65 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.621 2.214 . . . . 0.0 112.381 179.809 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -175.59 159.28 2.02 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.594 0.711 . . . . 0.0 111.135 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.488 ' HD2' HG22 ' A' ' 146' ' ' THR . 54.2 Cg_endo -69.61 -170.44 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.632 2.221 . . . . 0.0 112.384 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.6 tt -128.49 -38.33 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.734 ' O ' HD12 ' A' ' 153' ' ' LEU . 0.9 OUTLIER -60.82 -22.89 64.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.893 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -49.97 -44.59 50.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.33 -36.01 76.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.045 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 34.4 mt -67.76 -54.72 17.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 149' ' ' SER . 1.6 mp -54.56 -53.76 50.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.95 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 47.2 p -60.38 -41.36 93.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -52.05 -43.35 63.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -65.09 171.92 3.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.5 tp -176.17 148.74 0.81 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.57 152.62 41.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 179.874 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.4 t -174.97 -60.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.02 164.91 20.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.803 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.84 163.72 27.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 53.23 76.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.823 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -67.9 133.65 49.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 18.3 mt -104.33 30.9 4.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -24.85 46.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -48.79 -26.53 2.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -69.54 -68.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.3 m -48.39 -36.98 15.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.214 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 34.2 mm -67.42 -53.05 35.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.28 -25.04 67.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -72.76 -55.19 7.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.737 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.3 pt -63.46 -36.08 74.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.61 -52.39 38.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.812 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -57.06 -46.68 82.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 179.838 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.9 t -60.48 -47.52 85.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.422 HD13 ' CB ' ' A' ' 99' ' ' TYR . 8.5 tp -54.93 -56.33 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.511 ' OE2' HD22 ' A' ' 38' ' ' LEU . 4.6 tm-20 -53.39 -50.93 64.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.56 ' O ' HG22 ' A' ' 182' ' ' VAL . 0.1 OUTLIER -59.97 -33.94 72.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.956 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -73.12 -29.25 62.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 8.7 mt -74.48 -50.39 18.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 181' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -60.38 -45.19 94.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.847 179.863 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 178' ' ' GLU . 33.4 m -66.87 -39.3 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.412 ' N ' HG23 ' A' ' 182' ' ' VAL . 6.2 m -63.62 -43.7 96.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.513 ' HB2' HD13 ' A' ' 34' ' ' ILE . 3.1 tm? -71.43 -36.2 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 18.1 ttt85 -68.9 -40.66 79.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.04 -52.14 21.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.797 -179.74 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.429 HG22 ' HA ' ' A' ' 184' ' ' LEU . 14.1 t -58.46 -23.27 57.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.073 -179.916 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -83.45 -28.89 28.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 63.3 16.64 9.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.975 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 -179.894 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.813 0.34 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.9 120.2 2.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.1 t -140.5 146.85 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.7 mtt-85 -142.03 78.16 1.61 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -142.03 170.58 15.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.819 -179.834 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.23 48.74 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.431 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -130.78 147.46 52.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.788 0.328 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -140.32 164.41 30.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.797 -179.848 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.6 t -116.82 -25.17 7.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.228 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -51.99 150.62 4.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.831 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -150.64 26.13 0.75 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.2 p -87.98 163.02 16.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.91 159.57 70.81 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.627 0.727 . . . . 0.0 111.176 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 177.15 5.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.323 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -143.61 48.56 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.8 mtt-85 61.64 160.79 0.11 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.568 0.699 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 109.5 2.31 Favored 'Trans proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.741 2.294 . . . . 0.0 112.365 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.64 HG22 HG23 ' A' ' 26' ' ' THR . 7.1 p -97.11 -23.45 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 63.46 46.1 4.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.683 ' O ' HG23 ' A' ' 30' ' ' VAL . 68.2 p -119.82 166.22 13.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.253 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.2 p -51.66 -41.26 61.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.17 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -61.38 -51.67 67.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -38.8 90.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 26' ' ' THR . 95.3 t -62.16 -54.18 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.712 ' O ' HG23 ' A' ' 35' ' ' THR . . . -58.27 -51.94 55.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.43 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.02 -40.91 94.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.47 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.528 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.9 OUTLIER -64.33 -48.19 76.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.727 0.299 . . . . 0.0 110.91 -179.896 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.507 HG21 ' HG ' ' A' ' 184' ' ' LEU . 24.3 mm -57.19 -42.49 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 179.844 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 31' ' ' GLY . 30.0 p -64.82 -45.57 85.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -62.0 -55.23 31.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.885 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.595 HG22 HD11 ' A' ' 41' ' ' ILE . 10.5 p -59.49 -34.05 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.578 HD21 ' HB3' ' A' ' 180' ' ' LEU . 11.0 mt -64.17 -48.53 75.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.2 t90 -63.46 -41.32 98.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.79 -45.86 92.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.595 HD11 HG22 ' A' ' 37' ' ' VAL . 25.2 mt -61.53 -46.33 96.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 38' ' ' LEU . 99.0 t -59.57 -44.66 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.08 -41.91 76.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.7 ttt -66.82 -31.82 72.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -74.65 -50.24 18.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -69.69 -28.87 66.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.897 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -54.04 -35.62 62.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.2 mt -56.1 -30.43 62.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.7 m -96.52 28.8 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 61.02 30.7 19.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.73 44.0 98.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.616 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -100.74 108.92 20.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.8 t -54.98 -27.73 46.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -35.58 81.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.35 -36.27 81.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.8 mtp -57.89 -45.24 86.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -103.14 25.89 8.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -86.01 -66.08 0.94 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.07 26.5 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -97.85 28.74 3.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.18 -25.37 14.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.01 -40.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.2 -40.04 70.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.852 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -64.56 -31.68 73.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -108.19 35.31 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.975 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -152.38 26.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.4 132.4 33.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.5 -14.0 18.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.855 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.556 HD23 ' HE1' ' A' ' 99' ' ' TYR . 8.6 mp -63.82 160.54 44.87 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.649 0.738 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 132.37 23.11 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.634 2.223 . . . . 0.0 112.357 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.09 161.06 42.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 mp -103.36 99.98 9.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -136.13 -55.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -52.15 103.4 0.06 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -159.68 72.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -60.14 -27.84 67.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.04 -77.24 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 19.2 m 54.0 38.47 28.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -170.14 166.77 8.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.835 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 53.09 34.63 17.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.94 -51.02 2.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.101 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -171.09 169.99 42.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -89.88 80.67 6.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.0 110.927 -179.799 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -167.78 -48.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -109.93 115.91 30.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -92.9 -41.85 9.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.4 pt -105.13 179.69 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.69 -171.85 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.429 ' O ' HD22 ' A' ' 90' ' ' LEU . 5.1 mp -91.57 90.04 7.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.021 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.429 HD22 ' O ' ' A' ' 89' ' ' LEU . 3.8 mm? -125.63 148.71 48.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.899 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -69.33 -74.49 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mt 71.0 -69.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.87 -50.09 57.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.5 t -54.31 -52.32 61.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -179.776 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.8 -44.76 96.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.599 HD22 ' CG1' ' A' ' 129' ' ' ILE . 20.5 mt -56.56 -49.05 75.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.367 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -48.97 79.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.896 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.78 -50.71 69.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.556 ' HE1' HD23 ' A' ' 69' ' ' LEU . 20.4 m-85 -58.98 -47.32 85.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.782 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -54.34 -47.19 72.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.8 m -64.34 -39.53 94.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.819 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.544 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.6 m-85 -60.23 -64.46 0.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.898 -179.826 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.407 HD12 ' HG2' ' A' ' 104' ' ' GLU . 1.4 pp -54.86 -42.6 72.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.407 ' HG2' HD12 ' A' ' 103' ' ' LEU . 4.3 mm-40 -62.13 -34.41 76.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.968 179.87 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.716 ' CE1' HG22 ' A' ' 154' ' ' THR . 15.6 t80 -69.83 -51.98 28.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 -179.867 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.5 ptt? -67.28 -26.91 66.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.562 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -61.24 -32.92 72.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.903 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -59.99 -42.32 93.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -112.34 88.79 2.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.983 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.624 HD22 ' CB ' ' A' ' 114' ' ' LYS . 9.6 mt -149.04 177.65 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -175.92 5.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.99 179.816 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.14 -51.19 68.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.863 179.825 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -68.49 -49.55 58.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.624 ' CB ' HD22 ' A' ' 110' ' ' LEU . 19.1 mmtm -55.6 -40.89 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -67.0 -49.8 64.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -49.8 62.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -71.67 -35.68 70.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.83 -48.08 73.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.072 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -55.53 -43.26 75.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.62 -35.6 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.07 -51.05 59.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -62.17 -40.42 95.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -62.49 -53.21 58.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.5 -47.02 76.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.638 HG22 ' CD1' ' A' ' 129' ' ' ILE . 7.0 m -58.87 -47.8 83.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.104 -179.905 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -60.81 -33.17 72.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.813 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.576 HG22 HD11 ' A' ' 131' ' ' ILE . 4.2 m -68.68 -56.28 8.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.528 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -59.96 -32.76 71.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.638 ' CD1' HG22 ' A' ' 125' ' ' THR . 66.6 mt -70.86 -45.45 73.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.067 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -64.29 -36.87 85.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.795 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.576 HD11 HG22 ' A' ' 127' ' ' THR . 13.1 mt -69.25 -52.47 32.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.409 ' O ' HG13 ' A' ' 136' ' ' VAL . 3.4 m-85 -64.23 -44.25 92.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.784 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -43.27 98.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -63.86 -43.03 97.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -52.04 65.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 132' ' ' PHE . 18.3 m -66.53 -30.35 49.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -68.57 -42.46 78.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -77.71 -29.94 51.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.84 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 28.8 tp -68.89 -50.3 50.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -138.62 -75.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 179.9 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.67 -177.78 0.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.433 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.7 143.87 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.18 179.869 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.433 ' N ' HD13 ' A' ' 142' ' ' ILE . 46.9 t -147.74 146.93 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.146 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.1 pp -127.72 154.7 77.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.678 0.751 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -87.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.279 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 178.26 147.34 0.35 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.583 0.706 . . . . 0.0 111.127 -179.882 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 110.83 2.64 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.375 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 15.3 tt -121.69 -33.93 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.194 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.07 -47.0 65.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -51.32 -47.18 62.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.29 -54.03 50.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.2 mp -51.72 -53.41 39.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.96 -64.2 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.9 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.716 HG22 ' CE1' ' A' ' 105' ' ' TYR . 70.1 p -51.53 -32.94 29.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -34.19 69.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 156' ' ' LYS . . . . . 0.505 ' O ' HD12 ' A' ' 157' ' ' LEU . 2.9 tttt -86.9 141.39 28.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 156' ' ' LYS . 0.2 OUTLIER -170.47 165.68 8.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.906 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 61.52 99.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 84.5 p -130.3 134.11 46.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.796 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.16 -51.37 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.86 128.19 35.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.13 171.92 14.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 7.2 m0 57.18 68.47 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -141.96 -49.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -64.77 -42.26 95.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.91 -26.46 5.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.055 -179.842 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -69.08 0.36 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.6 m -48.52 -45.16 36.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.196 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.4 ' O ' HD23 ' A' ' 173' ' ' LEU . 39.4 mm -62.72 -46.05 97.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.246 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.77 -31.95 73.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -55.11 10.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.544 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.5 pt -60.3 -35.98 65.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.177 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 169' ' ' ILE . 2.9 mm? -67.41 -54.93 16.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.873 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -54.75 -47.62 73.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.3 t -61.83 -45.09 95.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.783 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.553 HD13 ' HB3' ' A' ' 99' ' ' TYR . 12.3 tp -54.86 -57.92 9.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -55.4 -53.02 61.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.562 ' O ' HG23 ' A' ' 182' ' ' VAL . 8.5 mt-10 -52.79 -49.32 65.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -60.83 -35.13 75.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.81 -179.835 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.578 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -63.67 -61.12 2.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -54.06 -45.62 71.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.818 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 178' ' ' GLU . 85.3 t -61.1 -52.84 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.123 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 87.3 m -55.22 -36.15 65.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.178 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.507 ' HG ' HG21 ' A' ' 34' ' ' ILE . 2.2 tm? -67.2 -55.99 11.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.54 -22.83 67.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 6.7 m -77.11 -48.03 18.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.7 t -71.21 -24.7 62.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.196 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 40.6 mtp85 -74.1 -41.15 62.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 41.28 84.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 -179.983 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -131.92 79.07 1.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 p -84.24 144.2 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -94.66 141.46 28.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -108.88 169.11 8.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -91.8 -38.5 5.78 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.505 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -56.48 157.7 4.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.861 0.362 . . . . 0.0 110.853 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.89 152.91 19.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.2 t -117.1 -25.33 7.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 -179.886 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -52.01 146.33 8.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -170.12 37.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 p 52.8 -173.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 -179.886 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.14 159.52 31.66 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.509 0.671 . . . . 0.0 111.198 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -170.95 0.43 Allowed 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.728 2.285 . . . . 0.0 112.297 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -135.18 29.81 3.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -137.8 74.18 45.49 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.596 0.713 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 84.34 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.68 2.253 . . . . 0.0 112.333 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.414 HG12 HG23 ' A' ' 26' ' ' THR . 22.6 t -74.78 -17.0 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 63.53 27.4 15.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.414 HG23 HG12 ' A' ' 24' ' ' VAL . 1.2 p -99.08 172.81 7.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.3 p -51.65 -43.27 62.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.42 -51.55 67.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.776 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -61.1 -39.28 89.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 26' ' ' THR . 90.9 t -64.69 -53.46 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.256 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.87 -52.15 50.61 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.43 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.29 -37.84 95.5 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.627 HD11 ' HB ' ' A' ' 127' ' ' THR . 9.4 tt -68.09 -35.78 78.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.828 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.48 ' CD1' HD22 ' A' ' 184' ' ' LEU . 63.8 mt -68.92 -48.66 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.1 t -63.97 -38.82 92.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -65.73 -55.25 18.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.539 HG22 HD11 ' A' ' 41' ' ' ILE . 7.0 p -60.86 -32.99 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.607 ' O ' HG23 ' A' ' 42' ' ' VAL . 12.6 mt -66.12 -48.6 70.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -62.83 -42.69 99.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.56 -47.78 83.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.539 HD11 HG22 ' A' ' 37' ' ' VAL . 36.8 mt -58.82 -48.33 86.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 38' ' ' LEU . 84.7 t -56.55 -52.81 48.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.093 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -56.69 -46.73 81.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -31.92 73.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -67.53 -51.31 52.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.2 pttt -72.22 -28.64 63.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -53.95 -34.24 59.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.545 HD12 ' HE3' ' A' ' 114' ' ' LYS . 7.3 mp -60.93 -28.22 68.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.6 m -96.51 27.2 3.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.877 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 61.97 28.09 17.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.38 45.06 96.71 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.519 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -100.31 112.12 24.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.84 0.353 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 p -54.84 -28.7 51.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 -179.896 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -63.26 -40.02 96.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -36.72 79.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.9 mtp -59.11 -30.77 68.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -120.05 26.01 9.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -86.55 -61.98 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.71 23.5 13.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -99.39 32.5 2.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.14 -26.42 7.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.065 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.32 -40.77 4.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.62 -32.1 64.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.131 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.11 -27.28 66.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -121.05 27.55 8.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -145.29 26.12 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.47 156.19 21.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.52 -24.58 8.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.777 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.11 160.52 47.57 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.634 0.731 . . . . 0.0 110.951 179.832 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.62 139.45 40.75 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.618 2.212 . . . . 0.0 112.4 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.27 151.51 42.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.452 HD11 HG13 ' A' ' 182' ' ' VAL . 10.0 pt -119.78 160.51 19.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -139.98 -70.1 0.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.96 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 62.19 35.12 15.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -121.04 -56.83 1.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -87.24 -58.58 2.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.24 161.02 31.54 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 9.0 p -117.58 157.72 25.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.812 0.339 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -157.04 -46.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.43 28.59 6.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.1 m 61.79 90.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -67.84 -152.54 0.34 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.426 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -104.6 -60.14 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 110.919 -179.802 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -66.4 -66.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.85 98.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.417 ' O ' ' CG1' ' A' ' 87' ' ' ILE . 2.8 tt0 -75.82 135.86 40.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.417 ' CG1' ' O ' ' A' ' 86' ' ' GLU . 22.0 pt 43.34 -164.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.175 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 56.8 m -133.18 149.99 52.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -171.44 173.78 4.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 tt -163.25 77.15 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -133.48 129.64 37.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.83 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.582 HG23 ' CZ ' ' A' ' 179' ' ' PHE . 79.0 mt -110.4 -22.38 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.888 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 83.3 p -63.37 -50.07 71.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.767 ' HA ' HD22 ' A' ' 144' ' ' LEU . 58.0 m -56.65 -52.0 66.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 -179.813 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.52 -51.81 56.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.522 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.593 HD22 HG12 ' A' ' 129' ' ' ILE . 57.1 mt -59.31 -47.39 85.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.69 HD13 HD21 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -59.76 -49.0 79.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.859 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.551 ' N ' HD23 ' A' ' 97' ' ' LEU . 12.5 mt-10 -55.06 -50.35 69.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -57.41 -48.29 79.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -54.1 -46.87 72.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.6 p -63.41 -40.16 96.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.824 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -60.88 -64.46 0.95 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 122' ' ' GLN . 2.0 pp -53.66 -40.04 65.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.426 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.7 OUTLIER -62.69 -38.63 91.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.951 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.453 ' CE1' HG22 ' A' ' 154' ' ' THR . 40.8 t80 -68.77 -42.46 77.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.429 ' HG2' HD11 ' A' ' 110' ' ' LEU . 2.8 ttt -70.8 -37.89 73.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -25.9 66.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.976 179.871 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -60.88 -39.01 87.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -131.8 99.45 4.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 114' ' ' LYS . 7.8 mt -148.29 171.21 16.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -68.82 -176.0 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.59 -51.03 68.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -74.29 -45.2 49.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.603 ' HB3' HD22 ' A' ' 110' ' ' LEU . 21.3 mmtm -56.0 -38.18 70.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -67.75 -51.1 53.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.851 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -53.33 -48.25 68.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -70.54 -39.36 74.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.9 -44.51 74.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.074 179.816 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -55.67 -49.45 72.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 77.3 t -61.36 -43.16 96.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.58 -49.88 73.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.481 ' HA ' HD13 ' A' ' 103' ' ' LEU . 11.9 tm0? -60.87 -50.04 75.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.895 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.95 -53.12 57.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.895 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.17 -55.0 36.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.42 HG22 ' CD1' ' A' ' 129' ' ' ILE . 5.5 m -53.32 -50.55 64.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.067 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.69 -41.83 70.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.627 ' HB ' HD11 ' A' ' 33' ' ' LEU . 31.1 m -61.94 -53.75 51.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.133 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.634 HD23 ' N ' ' A' ' 129' ' ' ILE . 0.3 OUTLIER -58.4 -52.24 66.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 179.955 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.634 ' N ' HD23 ' A' ' 128' ' ' LEU . 86.2 mt -54.5 -41.88 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.84 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -63.1 -46.94 84.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 41.4 mt -62.07 -53.08 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.532 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.4 m-85 -60.99 -41.52 96.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.899 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -59.84 -46.62 88.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -62.42 -49.98 73.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.63 -51.99 67.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.995 -179.884 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 132' ' ' PHE . 94.6 t -63.03 -31.48 52.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -41.56 77.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.28 -39.12 71.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.7 mp -73.02 -57.56 3.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.35 -169.69 2.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.863 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -115.28 153.72 30.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.445 HD12 ' H ' ' A' ' 143' ' ' VAL . 6.1 tp -177.17 141.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.073 179.821 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.445 ' H ' HD12 ' A' ' 142' ' ' ILE . 6.4 m -152.85 171.73 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.088 179.904 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.767 HD22 ' HA ' ' A' ' 94' ' ' SER . 1.0 OUTLIER -149.81 154.81 37.88 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.665 0.745 . . . . 0.0 110.904 179.939 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.523 ' O ' HG23 ' A' ' 146' ' ' THR . 53.3 Cg_endo -69.79 -86.42 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.65 2.233 . . . . 0.0 112.278 179.923 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -174.88 159.63 2.36 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.541 0.686 . . . . 0.0 111.168 -179.877 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.486 ' HD2' HG22 ' A' ' 146' ' ' THR . 53.5 Cg_endo -69.84 158.48 56.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.604 2.203 . . . . 0.0 112.323 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.7 tt -126.0 -37.35 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.623 ' O ' HD12 ' A' ' 153' ' ' LEU . 4.8 m -55.56 -26.01 41.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -51.75 -44.67 63.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.99 -40.88 95.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.09 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 28.0 mt -62.68 -56.11 20.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 149' ' ' SER . 1.0 OUTLIER -54.47 -56.61 17.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.918 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.453 HG22 ' CE1' ' A' ' 105' ' ' TYR . 80.8 p -56.82 -35.63 69.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.045 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.05 -46.94 82.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 169.04 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.04 -178.99 7.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 52.9 67.34 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.3 p -136.91 69.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 -179.712 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -117.86 -74.27 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.27 52.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.14 -172.11 2.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 18.9 p-90 -127.05 29.57 5.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.76 -52.44 2.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.07 -26.12 59.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.82 -26.44 5.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -69.63 -69.02 0.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.847 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.1 m -48.37 -45.58 35.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.9 mm -62.36 -47.58 92.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.204 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -60.84 -30.73 70.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.811 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -71.56 -55.31 8.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 16.2 pt -60.46 -37.79 75.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.177 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.405 ' CD1' HG23 ' A' ' 41' ' ' ILE . 3.6 mm? -67.44 -58.58 4.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.825 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -56.98 -41.66 78.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.784 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 72.4 m -62.19 -46.99 86.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.489 HD12 HD13 ' A' ' 180' ' ' LEU . 15.2 tp -58.35 -58.15 9.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.37 -46.99 66.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -59.59 -41.19 89.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 -179.917 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.582 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 60.3 t80 -66.87 -31.56 72.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.873 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.489 HD13 HD12 ' A' ' 176' ' ' LEU . 5.2 mp -70.78 -52.16 22.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -59.13 -46.07 89.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.452 HG13 HD11 ' A' ' 72' ' ' ILE . 7.4 p -67.39 -35.29 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.853 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.3 m -63.12 -46.61 86.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.559 ' HA ' HG22 ' A' ' 187' ' ' THR . 9.3 tp -72.09 -36.06 69.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -67.54 -31.36 71.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.07 -49.68 9.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.559 HG22 ' HA ' ' A' ' 184' ' ' LEU . 7.0 t -62.75 -19.19 63.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.135 -179.88 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 49.1 mtm180 -78.42 -45.75 21.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.32 16.62 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.064 -179.838 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.84 0.352 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -142.48 74.97 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -137.16 149.85 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.74 131.27 55.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.963 179.905 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -139.74 176.4 8.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 178.53 37.55 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.522 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -108.25 149.26 28.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -136.94 161.15 36.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 t -125.01 -36.4 2.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.185 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.539 ' CG ' HG21 ' A' ' 35' ' ' THR . 0.3 OUTLIER -92.11 146.56 23.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -173.68 36.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.7 p -88.37 174.16 8.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.19 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.93 159.45 78.61 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.698 0.761 . . . . 0.0 111.09 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 176.89 6.12 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.743 2.295 . . . . 0.0 112.348 179.891 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -155.28 51.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? 64.1 153.53 0.12 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.512 0.673 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 86.42 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.656 2.238 . . . . 0.0 112.297 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.4 m -87.25 -14.27 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 60.65 38.7 18.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.9 p -112.71 167.64 10.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.72 -36.15 34.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.915 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.25 -43.34 74.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.743 -179.786 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -62.69 -50.93 69.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.982 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 31' ' ' GLY . 18.9 m -60.73 -43.23 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.905 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.702 ' O ' HG23 ' A' ' 35' ' ' THR . . . -59.2 -53.14 48.82 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.35 -39.31 97.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.39 -179.914 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 128' ' ' LEU . 9.9 tt -65.33 -45.23 85.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.338 . . . . 0.0 110.945 -179.895 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.527 HG21 ' HG ' ' A' ' 184' ' ' LEU . 12.8 mm -59.32 -41.8 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.772 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 31' ' ' GLY . 29.8 p -66.3 -44.92 82.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -57.89 -55.24 37.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.686 HG22 ' CD1' ' A' ' 41' ' ' ILE . 8.0 p -59.43 -38.38 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.05 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.932 HD22 HD23 ' A' ' 180' ' ' LEU . 0.6 OUTLIER -56.82 -49.07 76.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.978 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -65.65 -43.82 88.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.969 179.851 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.502 ' HB3' HD11 ' A' ' 121' ' ' LEU . 1.7 mm-40 -60.11 -43.51 95.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.686 ' CD1' HG22 ' A' ' 37' ' ' VAL . 57.1 mt -63.0 -46.89 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 38' ' ' LEU . 97.6 t -58.53 -41.85 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.853 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -72.84 -42.98 63.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 -179.907 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.4 ttt -65.37 -31.52 72.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -77.11 -51.19 11.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.21 -28.6 68.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -55.02 -40.82 70.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.1 mt -53.96 -29.38 42.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.9 m -96.04 31.69 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.785 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.4 t30 59.31 26.53 15.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.72 43.49 98.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.524 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -98.76 117.33 32.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -26.82 63.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.827 -179.87 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -35.99 82.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -26.49 67.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.3 mtp -65.85 -38.48 88.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.859 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -113.13 29.36 8.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -86.98 -50.83 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.99 23.17 14.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -99.52 32.0 2.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.99 -26.18 6.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.162 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.23 -38.77 2.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.65 -31.96 66.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -54.17 -28.36 39.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -126.6 40.76 3.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -153.18 27.0 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.58 135.65 33.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -72.6 -26.05 61.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 mt -80.1 154.99 75.08 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.713 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 152.13 68.81 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.679 2.253 . . . . 0.0 112.388 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -144.66 146.78 32.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.422 ' HB ' HG11 ' A' ' 182' ' ' VAL . 73.9 mt -82.47 140.77 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.096 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -137.73 -59.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.8 mtm-85 -160.2 155.77 25.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.819 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.647 ' OD1' HD22 ' A' ' 90' ' ' LEU . 18.3 m120 -154.87 144.3 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.67 179.52 4.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -88.9 176.27 44.03 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.508 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 92.8 m -114.53 172.93 6.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.785 0.326 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -165.77 30.75 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -146.66 108.21 4.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 m -117.52 124.15 48.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 -179.889 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.95 37.98 6.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -159.97 -68.84 0.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.868 0.366 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -120.21 150.34 40.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -157.23 40.68 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -105.94 -31.91 8.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -103.32 29.67 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 2.3 m -120.1 145.57 46.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 62.21 176.21 0.13 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.647 HD22 ' OD1' ' A' ' 75' ' ' ASN . 0.3 OUTLIER -129.18 149.63 50.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.845 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -68.93 102.06 1.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 69.1 mt -113.47 -25.59 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.211 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.55 -50.13 66.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.9 t -57.19 -48.52 78.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.818 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.13 -52.09 54.86 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 16.7 mt -61.18 -54.51 43.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 0.0 110.937 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.839 HD13 HD11 ' A' ' 144' ' ' LEU . 0.3 OUTLIER -55.6 -48.18 75.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.973 179.862 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -54.05 -55.14 30.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.77 ' HB3' HD13 ' A' ' 176' ' ' LEU . 15.4 m-85 -54.11 -45.67 71.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.846 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.405 ' HA ' HD21 ' A' ' 103' ' ' LEU . 40.2 t-80 -56.95 -43.26 81.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -38.68 89.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.822 -179.794 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.564 ' HE1' HD13 ' A' ' 153' ' ' LEU . 13.8 m-85 -62.1 -58.33 8.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.849 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.8 pp -59.33 -37.96 79.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.564 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.7 OUTLIER -60.24 -47.75 84.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.96 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.796 ' CE1' HG22 ' A' ' 154' ' ' THR . 2.7 t80 -64.66 -45.02 88.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.837 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 13.3 ttp -66.91 -26.13 66.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.405 ' HA ' HD12 ' A' ' 110' ' ' LEU . 9.0 tmtt? -69.47 -28.61 66.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.37 -29.22 70.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -132.45 94.51 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.681 HD22 ' HB3' ' A' ' 114' ' ' LYS . 6.5 mt -148.95 173.96 12.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.13 -179.04 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.858 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.39 -51.05 70.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 179.928 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -76.1 -43.64 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.681 ' HB3' HD22 ' A' ' 110' ' ' LEU . 21.7 mmtm -55.73 -36.3 67.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.798 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -71.35 -50.55 31.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.71 -47.67 67.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -71.49 -39.22 71.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.1 -43.79 74.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.045 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -55.35 -49.9 71.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.803 -179.853 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 71.3 t -61.9 -42.31 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.502 HD11 ' HB3' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -55.36 -48.8 73.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.922 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -65.13 -41.58 94.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.92 -55.47 26.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.03 -38.61 91.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.6 HG22 HD12 ' A' ' 129' ' ' ILE . 91.4 m -58.36 -45.37 88.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -179.928 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -68.57 -38.56 80.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.5 m -64.79 -56.24 14.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.528 ' HA ' HD12 ' A' ' 131' ' ' ILE . 3.1 pp -61.37 -39.4 90.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.823 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.6 HD12 HG22 ' A' ' 125' ' ' THR . 21.7 mt -64.6 -38.34 82.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.883 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -68.35 -42.25 79.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 128' ' ' LEU . 7.7 mt -63.03 -52.09 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.572 ' O ' HG23 ' A' ' 136' ' ' VAL . 2.5 m-85 -62.14 -43.93 97.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -58.45 -45.3 88.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -54.18 44.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -44.18 72.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.633 HG12 ' O ' ' A' ' 141' ' ' LYS . 94.8 t -69.02 -35.22 67.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -64.87 -37.89 89.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.0 -22.1 24.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.782 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 16.7 tp -81.1 -58.12 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.877 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.39 36.05 1.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.633 ' O ' HG12 ' A' ' 136' ' ' VAL . 0.0 OUTLIER 63.51 -175.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.93 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -158.22 146.37 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 179.931 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 10.0 m -107.75 142.43 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.824 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.839 HD11 HD13 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -140.01 90.55 10.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.643 0.735 . . . . 0.0 110.934 179.894 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -40.23 5.53 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.623 2.216 . . . . 0.0 112.323 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.454 ' OG1' HD12 ' A' ' 144' ' ' LEU . 1.2 m 65.57 77.81 0.27 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.702 . . . . 0.0 111.114 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -179.42 2.91 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.731 2.287 . . . . 0.0 112.285 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 148' ' ' ILE . 0.9 OUTLIER -117.91 31.84 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 179.939 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.49 -43.48 96.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.858 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -51.51 -51.1 58.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -51.51 -50.95 58.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.18 179.856 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.6 mp -55.61 -49.06 73.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.564 HD13 ' HE1' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -54.44 -63.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.989 179.895 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.796 HG22 ' CE1' ' A' ' 105' ' ' TYR . 54.2 p -51.81 -34.03 38.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.181 179.917 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.94 -34.89 75.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.808 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 69.29 -75.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.889 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.67 99.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.86 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -55.95 113.22 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 15.3 m -146.47 104.62 3.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 -179.771 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 63.24 161.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.6 tptp 53.06 -170.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.23 -74.26 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -95.1 -52.92 4.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.5 tp 58.77 26.08 14.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 18.6 ttt85 -81.7 -55.13 4.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.8 -26.72 10.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -69.43 -69.89 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.809 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 95.4 m -48.98 -44.96 41.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.093 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.82 -49.67 83.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.161 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -59.72 -31.53 69.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -55.24 10.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.543 HD12 ' HB3' ' A' ' 102' ' ' TYR . 20.0 pt -62.18 -35.86 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.38 -49.36 64.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -59.59 -52.09 67.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -38.78 88.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.77 HD13 ' HB3' ' A' ' 99' ' ' TYR . 12.1 tp -59.29 -57.98 10.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.432 ' HG2' HD13 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -57.03 -52.47 65.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 182' ' ' VAL . 2.9 mt-10 -54.6 -50.43 68.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -61.9 -32.74 73.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.813 -179.913 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.932 HD23 HD22 ' A' ' 38' ' ' LEU . 6.3 tp -64.9 -59.79 3.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -55.72 -44.95 77.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 178' ' ' GLU . 80.1 t -59.52 -44.78 93.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 84.5 m -61.11 -46.89 88.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.527 ' HG ' HG21 ' A' ' 34' ' ' ILE . 1.1 tm? -58.45 -53.12 61.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -63.46 -33.95 76.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 29.1 t -64.21 -51.6 62.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 184' ' ' LEU . 10.3 t -66.86 -20.41 65.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 188' ' ' ARG . . . . . 0.508 ' HG3' HD13 ' A' ' 184' ' ' LEU . 1.5 mmp_? -79.97 -176.04 5.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 63.71 18.03 10.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.904 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.7 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.977 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.774 0.321 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -141.99 86.78 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.7 p -78.21 147.69 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -90.42 137.67 32.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -149.65 173.49 13.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.35 42.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -100.31 147.28 25.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -89.85 162.7 15.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.775 -179.83 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.6 t -116.46 -36.91 3.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.188 -179.893 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -142.77 -170.69 3.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -172.11 37.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.3 p -96.6 -179.96 4.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 -179.886 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.65 159.63 71.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.564 0.697 . . . . 0.0 111.055 -179.907 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 178.09 4.97 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.642 2.228 . . . . 0.0 112.405 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -154.4 46.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 61.56 161.0 0.11 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.626 0.727 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 93.63 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.622 2.215 . . . . 0.0 112.419 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.4 t -87.5 -16.84 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 63.52 29.36 15.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.535 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -102.35 161.07 13.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.144 179.934 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.5 p -51.61 -48.22 63.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.7 m -52.18 -51.44 58.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 -179.797 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -42.03 98.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 26' ' ' THR . 94.7 t -60.64 -54.08 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.721 ' O ' HG23 ' A' ' 35' ' ' THR . . . -57.13 -51.95 54.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.536 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.97 -40.46 93.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.541 HD11 ' HB ' ' A' ' 127' ' ' THR . 1.0 OUTLIER -63.84 -48.2 77.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.798 0.332 . . . . 0.0 110.858 -179.862 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.47 HD13 ' HB2' ' A' ' 184' ' ' LEU . 59.4 mt -57.98 -42.83 83.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.847 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 31' ' ' GLY . 30.0 p -63.73 -45.15 91.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.176 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -58.11 -55.21 37.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.703 HG22 HD11 ' A' ' 41' ' ' ILE . 9.2 p -60.18 -34.62 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.679 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -60.39 -48.72 80.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.933 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -65.69 -43.74 88.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -59.36 -44.92 92.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.703 HD11 HG22 ' A' ' 37' ' ' VAL . 41.6 mt -63.35 -50.26 79.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.08 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 38' ' ' LEU . 87.5 t -53.27 -54.84 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -58.82 -43.8 90.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.6 ttt -63.24 -31.77 73.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -71.09 -50.99 27.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -69.42 -28.52 66.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -58.21 -29.89 66.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.985 179.878 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.487 HD23 ' CE ' ' A' ' 114' ' ' LYS . 25.8 mt -59.19 -35.06 72.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.2 m -96.1 35.14 1.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.9 t30 62.71 26.2 15.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.33 42.54 90.06 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -97.67 118.75 34.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.4 p -61.7 -29.6 70.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.56 -35.21 79.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.58 -26.68 66.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 21.8 mtp -62.53 -38.27 89.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -116.13 28.7 8.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -90.11 -62.8 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.58 26.76 4.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -104.57 26.87 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.93 -30.61 6.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.408 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -106.33 -31.45 8.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.931 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.27 -28.52 69.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.823 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -61.72 -30.97 71.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -104.83 26.43 9.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.968 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -141.26 26.2 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.789 HD11 ' HE3' ' A' ' 174' ' ' LYS . 12.0 mt -116.44 123.96 48.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -115.53 26.47 10.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.801 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.49 HD23 ' HE1' ' A' ' 99' ' ' TYR . 8.6 mp -83.97 160.55 57.72 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.67 0.748 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 119.47 6.41 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.734 2.289 . . . . 0.0 112.316 179.847 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' O ' HD21 ' A' ' 90' ' ' LEU . 12.3 tt0 -148.08 160.15 43.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.603 ' HA ' HD11 ' A' ' 90' ' ' LEU . 3.7 mp -88.81 129.24 40.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.087 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -112.81 57.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 64.5 mtm-85 54.27 40.76 32.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -126.68 137.4 53.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -176.89 163.24 2.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.7 21.43 2.87 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 7.5 m -80.93 78.71 7.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -160.29 129.26 4.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 54.14 86.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.2 p -74.71 168.05 20.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.66 33.78 2.19 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -173.71 -53.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 0.0 110.97 -179.856 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -60.98 -175.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.794 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -95.96 26.11 4.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 57.06 26.1 11.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 tt -114.34 146.4 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.73 20.72 8.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 55.43 -176.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.603 HD11 ' HA ' ' A' ' 72' ' ' ILE . 0.1 OUTLIER 63.26 -172.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.903 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.474 ' H ' HD23 ' A' ' 90' ' ' LEU . 1.1 mptt -103.25 -72.71 0.69 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.843 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.9 mt 71.22 -68.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.14 179.848 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.4 m -50.69 -50.26 55.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.712 ' HA ' HD11 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -54.97 -52.45 63.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.791 -179.821 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.88 -45.02 95.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.417 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.606 HD13 HG12 ' A' ' 129' ' ' ILE . 20.7 mt -56.5 -46.83 80.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.362 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.027 HD22 HD22 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -61.11 -49.26 78.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.972 179.811 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.61 -55.92 27.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.718 ' HB3' HD13 ' A' ' 176' ' ' LEU . 23.6 m-85 -55.22 -46.13 75.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.818 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -54.13 -48.0 71.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.72 -39.75 95.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.767 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.561 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.6 m-85 -60.15 -64.27 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.557 HD23 HD22 ' A' ' 176' ' ' LEU . 1.6 pp -55.11 -36.97 66.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -35.3 80.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -70.54 -52.01 24.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.024 -179.902 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.698 ' HE1' HD11 ' A' ' 110' ' ' LEU . 4.7 ppp? -66.71 -27.92 68.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.931 179.814 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -64.28 -29.16 70.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.96 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -59.9 -40.25 88.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -125.74 96.94 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.698 HD11 ' HE1' ' A' ' 106' ' ' MET . 6.0 mt -146.66 177.97 8.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -77.85 -176.01 4.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -62.7 -51.37 67.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.836 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.66 -48.04 50.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.771 -179.859 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.681 ' CB ' HD22 ' A' ' 110' ' ' LEU . 20.7 mmtm -55.69 -34.49 65.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -68.52 -45.17 72.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.15 -46.18 90.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.825 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.449 ' O ' HD13 ' A' ' 121' ' ' LEU . 10.9 mmpt? -72.07 -32.08 66.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.75 88.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.07 179.844 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -61.99 -49.37 76.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.19 -32.24 56.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.449 HD13 ' O ' ' A' ' 117' ' ' LYS . 2.0 mp -65.15 -51.81 58.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -64.69 -39.85 94.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -61.03 -52.04 66.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -58.66 -47.77 83.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.621 HG22 ' CD1' ' A' ' 129' ' ' ILE . 15.4 m -54.99 -51.04 67.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.159 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.6 -36.16 75.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.541 ' HB ' HD11 ' A' ' 33' ' ' LEU . 12.3 m -63.9 -56.17 17.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.411 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -61.84 -31.07 71.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.621 ' CD1' HG22 ' A' ' 125' ' ' THR . 63.1 mt -70.97 -39.16 74.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -38.2 71.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.4 mt -68.87 -48.54 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.186 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.561 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.6 m-85 -65.68 -45.17 83.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.851 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.439 ' OD1' HD12 ' A' ' 142' ' ' ILE . 2.9 t30 -64.16 -40.64 96.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.87 -179.8 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -63.68 -51.76 63.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.07 -51.93 67.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.871 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 132' ' ' PHE . 87.6 t -60.86 -50.18 81.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.179 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -52.03 -45.13 64.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -69.72 -34.69 74.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.834 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.49 -46.48 85.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -144.01 -75.47 0.24 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.77 163.99 1.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.439 HD12 ' OD1' ' A' ' 133' ' ' ASN . 0.0 OUTLIER -175.64 144.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 179.914 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.436 ' N ' HD13 ' A' ' 142' ' ' ILE . 6.2 m -152.95 -178.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.095 179.884 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 1.027 HD22 HD22 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -174.54 138.68 0.65 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.721 . . . . 0.0 110.871 179.95 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -86.81 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 177.81 147.97 0.35 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.54 0.686 . . . . 0.0 111.231 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.592 ' HD3' HD23 ' A' ' 97' ' ' LEU . 54.6 Cg_endo -69.7 151.98 69.5 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.705 2.27 . . . . 0.0 112.349 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 16.0 tt -116.85 -17.59 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.064 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.3 m -51.66 -30.48 21.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -51.61 -50.9 59.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -58.92 -42.88 90.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.5 mp -56.97 -62.08 1.99 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 7.9 mt -52.01 -55.11 22.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 40.7 p -53.98 -33.5 57.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.71 -42.13 71.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -94.9 118.51 31.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 7.6 tp -163.11 37.26 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -79.34 161.47 26.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.24 97.64 8.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 -179.787 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -127.44 157.29 40.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -119.63 47.9 1.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -128.63 137.88 51.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -79.38 66.25 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.49 -34.4 9.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -54.25 -32.19 55.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -26.74 6.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -69.3 -69.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.7 m -48.44 -44.94 35.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.546 HG22 HD12 ' A' ' 173' ' ' LEU . 38.9 mm -63.25 -45.18 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -63.43 -31.25 72.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.982 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -55.4 8.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.817 -179.868 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' A' ' 102' ' ' TYR . 13.3 pt -59.15 -39.29 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.546 HD12 HG22 ' A' ' 169' ' ' ILE . 9.1 mt -67.67 -47.02 70.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.869 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.789 ' HE3' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -56.63 -50.85 70.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.762 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.79 -45.73 92.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.848 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.718 HD13 ' HB3' ' A' ' 99' ' ' TYR . 16.0 tp -52.85 -52.89 55.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.49 ' OE1' HG22 ' A' ' 42' ' ' VAL . 3.9 tt0 -59.67 -52.42 65.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.913 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -53.0 -48.11 67.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -65.28 -32.88 74.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.841 -179.866 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.436 HD12 HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -64.1 -64.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.942 179.953 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 181' ' ' LYS . . . . . 0.549 ' HD2' HG23 ' A' ' 182' ' ' VAL . 0.0 OUTLIER -56.54 -42.86 79.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.905 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.549 HG23 ' HD2' ' A' ' 181' ' ' LYS . 25.1 t -61.94 -52.64 58.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 179.833 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 37.5 m -55.48 -39.46 70.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.496 ' O ' HD22 ' A' ' 184' ' ' LEU . 1.4 tm? -64.23 -56.14 16.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 185' ' ' ARG . . . . . 0.483 ' N ' HD13 ' A' ' 184' ' ' LEU . 17.3 ptp180 -62.75 -24.31 67.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.879 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 38.4 t -74.24 -47.22 36.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 184' ' ' LEU . 9.0 t -70.44 -25.04 63.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -56.93 169.83 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -85.71 -18.06 34.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.266 -179.908 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.8 0.334 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -113.59 76.58 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.4 t -114.51 126.04 71.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.38 96.53 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.3 178.51 7.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.95 -32.53 0.56 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.15 118.17 2.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.37 170.79 5.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.913 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 t -114.98 -25.95 7.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 -179.856 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -121.17 158.64 27.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -155.72 31.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 t -154.03 153.91 32.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.088 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.87 159.58 36.91 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.642 0.734 . . . . 0.0 111.109 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -179.71 3.13 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.591 2.194 . . . . 0.0 112.372 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -102.59 -29.02 11.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.67 157.03 28.22 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 123.28 9.98 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.662 2.242 . . . . 0.0 112.422 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.415 HG12 HG23 ' A' ' 26' ' ' THR . 16.2 t -101.0 -14.94 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.19 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 60.12 24.21 13.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.953 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.415 HG23 HG12 ' A' ' 24' ' ' VAL . 3.9 p -103.35 172.9 6.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.213 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.76 -35.0 41.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.177 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.57 -45.31 72.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.871 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.83 -51.33 69.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 31' ' ' GLY . 20.7 m -61.29 -41.88 91.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 35' ' ' THR . . . -59.1 -52.47 53.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.47 -37.93 95.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.507 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.686 HD21 ' O ' ' A' ' 124' ' ' ASP . 5.2 tt -65.96 -38.75 89.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.766 0.317 . . . . 0.0 110.837 -179.903 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.495 HG21 ' HG ' ' A' ' 184' ' ' LEU . 12.7 mm -67.05 -42.59 88.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.089 179.864 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 31' ' ' GLY . 60.6 p -65.05 -47.9 75.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.219 179.901 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -61.39 -55.07 35.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.622 HG22 HD11 ' A' ' 41' ' ' ILE . 9.7 p -59.18 -33.48 50.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.649 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.2 mt -63.98 -48.33 76.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -64.66 -41.61 95.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -62.75 -45.28 93.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.622 HD11 HG22 ' A' ' 37' ' ' VAL . 33.5 mt -62.28 -44.11 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 38' ' ' LEU . 99.4 t -60.98 -45.24 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 179.852 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -69.63 -44.1 71.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.1 ttp -65.27 -31.84 73.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -74.29 -51.12 16.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.53 -28.7 67.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -59.95 -35.0 74.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.477 HD23 ' HE3' ' A' ' 114' ' ' LYS . 20.8 mt -53.87 -31.92 51.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.54 31.1 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.6 27.91 17.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.973 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.7 44.09 98.02 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -87.04 105.99 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 p -54.98 -27.95 47.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.886 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -34.99 41.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 49.2 t -62.1 -25.96 68.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.7 mtp -67.57 -34.81 77.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -125.55 35.6 4.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -84.71 -74.24 0.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -108.34 39.11 2.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.903 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.72 25.68 4.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.0 -31.75 14.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.57 -28.78 5.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.668 ' HB1' ' CE1' ' A' ' 171' ' ' PHE . . . -56.75 -33.27 66.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 179.802 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -64.34 -24.74 67.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -109.59 27.98 9.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -135.62 20.11 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -93.88 -38.57 11.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.11 20.99 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.793 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mp -84.2 160.73 56.74 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.625 0.726 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 81.78 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.589 2.193 . . . . 0.0 112.332 179.883 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.04 160.96 13.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.406 HG23 HD13 ' A' ' 90' ' ' LEU . 5.0 mt -81.59 143.98 11.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.16 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.18 131.51 8.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -54.86 139.53 39.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -135.72 150.01 49.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -81.4 164.15 22.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.29 -65.15 0.29 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 7.7 p -120.4 157.3 29.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.843 0.354 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -168.2 -44.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.982 -179.883 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -110.19 173.14 6.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.2 t -72.23 147.15 46.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 162.05 -170.29 37.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.526 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 56.87 37.76 29.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.872 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.3 m120 72.19 -69.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -156.23 96.16 1.66 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -172.07 85.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 mt -112.52 105.11 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.084 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 29.7 p -72.17 140.08 48.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.1 tp -152.83 37.07 0.5 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.406 HD13 HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER 63.19 -169.71 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.93 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.83 -63.45 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.855 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.9 mt 72.29 -63.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.188 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.6 p -50.36 -47.96 55.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 98.1 p -56.11 -52.52 64.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.906 -179.818 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.95 -51.19 59.7 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.438 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.646 HD23 HG12 ' A' ' 129' ' ' ILE . 2.1 mp -51.95 -49.98 62.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.93 -49.33 75.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.951 179.841 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.13 -48.98 67.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -58.69 -46.86 86.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -54.34 -46.24 72.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.801 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -39.22 93.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.749 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.707 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.2 m-85 -59.35 -63.77 1.18 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.905 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 122' ' ' GLN . 2.4 pp -53.65 -43.62 68.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.606 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.3 mm-40 -55.88 -43.61 77.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -64.84 -42.24 95.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.843 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.537 ' HG2' HD11 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -66.81 -37.06 83.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.88 179.895 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.577 ' HE3' ' HB1' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -51.3 -40.06 58.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.66 -26.7 64.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -134.92 92.07 2.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.823 HD22 ' HB3' ' A' ' 114' ' ' LYS . 10.9 mt -149.42 154.06 38.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.005 179.883 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -65.82 -177.85 0.51 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.955 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.9 -51.25 67.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -70.84 -45.49 64.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.823 ' HB3' HD22 ' A' ' 110' ' ' LEU . 19.1 mmtm -55.62 -45.79 77.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -47.53 84.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.07 -50.55 66.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 179.786 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -68.25 -36.98 80.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.577 ' HB1' ' HE3' ' A' ' 107' ' ' LYS . . . -55.1 -49.09 72.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.851 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -52.82 -37.04 59.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 88.4 t -72.81 -37.79 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.4 mp -66.38 -51.11 60.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.626 ' HB3' HD13 ' A' ' 103' ' ' LEU . 1.5 pp0? -63.17 -45.24 92.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -56.43 -52.21 65.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.686 ' O ' HD21 ' A' ' 33' ' ' LEU . 32.8 m-20 -57.87 -55.02 40.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.794 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.6 m -55.64 -44.51 77.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.27 -53.53 52.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.563 HG22 HD11 ' A' ' 131' ' ' ILE . 98.2 m -62.49 -36.56 82.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.067 -179.867 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.571 HD23 HD22 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -63.14 -51.94 64.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.993 179.92 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.646 HG12 HD23 ' A' ' 96' ' ' LEU . 7.5 mt -61.01 -38.43 79.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.23 179.729 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -46.24 89.17 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 179.848 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.563 HD11 HG22 ' A' ' 127' ' ' THR . 19.1 mt -63.29 -53.48 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.18 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -59.69 -50.3 74.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -57.9 -38.7 76.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -63.55 -50.15 70.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -52.19 66.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.791 -179.858 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.4 m -64.9 -30.01 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -69.06 -38.74 79.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.891 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.25 -39.43 59.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.829 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.2 -50.26 28.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -139.72 -169.83 2.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -99.31 172.72 7.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.8 tp -176.03 146.85 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.853 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 21.8 m -108.81 -174.49 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.851 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.25 141.66 22.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.594 0.711 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -47.89 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.755 2.303 . . . . 0.0 112.349 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.8 m 65.16 75.08 0.37 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.601 0.715 . . . . 0.0 111.155 -179.88 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 157.97 58.41 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.1 tt -118.23 -14.38 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.479 ' O ' HD12 ' A' ' 153' ' ' LEU . 0.5 OUTLIER -50.77 -33.63 24.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 -179.961 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -52.03 -51.02 60.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.72 -42.14 67.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.97 -54.16 45.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 149' ' ' SER . 1.0 OUTLIER -51.8 -58.26 6.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 179.834 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -42.02 87.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -52.58 -40.04 62.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -77.97 169.45 18.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.6 tt -127.74 -54.23 1.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 60.3 98.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.84 -64.18 1.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.842 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -173.82 -42.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -50.32 65.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -57.37 179.47 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 20.1 p-90 -51.85 146.99 7.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.6 mp -77.55 145.61 36.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -81.32 -18.14 46.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.965 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 4.5 m -50.68 -26.49 5.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -69.72 -69.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 90.5 m -48.46 -44.28 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.2 mm -63.7 -46.89 93.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -62.44 -31.27 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 0.668 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 1.1 m-85 -70.78 -55.26 8.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.707 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.6 pt -60.03 -36.78 69.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.149 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.45 -53.44 28.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -56.82 -44.97 82.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.823 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.5 t -63.94 -41.93 97.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.0 tp -58.95 -49.29 78.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -61.81 -57.44 11.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.661 ' O ' HG23 ' A' ' 182' ' ' VAL . 0.0 OUTLIER -53.59 -49.24 68.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.863 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -61.39 -41.48 97.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.417 HD23 ' HG ' ' A' ' 38' ' ' LEU . 27.7 tp -56.74 -48.67 77.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.949 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -64.22 -45.99 85.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.962 179.901 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 178' ' ' GLU . 60.8 t -61.76 -35.9 70.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.052 179.852 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.459 ' O ' HG22 ' A' ' 187' ' ' THR . 60.5 m -71.59 -41.86 68.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.594 ' O ' HD13 ' A' ' 184' ' ' LEU . 1.5 tm? -64.79 -41.28 95.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.99 -35.09 62.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 94.5 p -65.53 -52.03 55.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 -179.734 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 183' ' ' THR . 14.8 t -67.18 -22.92 65.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -81.32 170.75 15.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.33 -18.19 61.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 36.9 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.153 -179.879 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 82.0 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.819 0.343 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -151.78 91.5 1.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.999 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.7 t -142.85 123.79 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -154.32 69.54 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -134.76 -179.65 5.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.94 40.42 4.92 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.496 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.06 103.88 3.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.832 0.348 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.418 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.2 OUTLIER -137.06 159.93 40.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.865 -179.857 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.3 t -123.15 -35.68 2.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.06 174.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.915 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -158.36 49.79 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 p 47.23 90.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.81 159.7 60.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.507 0.67 . . . . 0.0 111.1 -179.911 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.87 -170.78 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.255 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.31 -24.18 9.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mmm-85 -117.39 155.95 49.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 81.06 0.82 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.709 2.273 . . . . 0.0 112.378 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.404 ' O ' HG12 ' A' ' 24' ' ' VAL . 19.3 t -74.95 -10.49 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.058 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 63.82 24.89 13.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.448 ' O ' HG23 ' A' ' 30' ' ' VAL . 1.3 p -87.93 165.66 15.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -51.59 -45.97 63.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.84 -51.33 57.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.774 -179.766 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -36.32 79.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 26' ' ' THR . 97.9 t -63.54 -54.16 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.164 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.716 ' O ' HG23 ' A' ' 35' ' ' THR . . . -59.37 -51.83 56.81 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.47 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.16 -42.95 95.51 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.463 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.772 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.5 OUTLIER -63.25 -50.79 68.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.77 0.319 . . . . 0.0 110.892 -179.904 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.601 ' N ' HD23 ' A' ' 33' ' ' LEU . 7.6 mm -53.98 -44.63 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 31' ' ' GLY . 32.1 p -64.73 -42.37 95.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -59.0 -55.36 36.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.7 HG22 HD11 ' A' ' 41' ' ' ILE . 7.2 p -61.06 -36.4 72.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.652 HD11 ' HG2' ' A' ' 181' ' ' LYS . 1.1 mm? -59.72 -48.2 82.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -66.38 -41.17 89.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.965 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -61.59 -42.67 99.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.7 HD11 HG22 ' A' ' 37' ' ' VAL . 32.9 mt -66.08 -49.01 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 38' ' ' LEU . 86.0 t -55.84 -49.48 74.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.102 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.1 -41.13 95.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -31.93 73.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -73.37 -51.24 18.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -28.81 67.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -59.9 -34.6 73.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.0 mt -53.95 -36.17 62.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 57.2 m -96.27 37.24 1.26 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 61.94 26.64 16.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.37 24.39 76.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -79.93 108.5 13.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m -56.1 -33.53 65.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.81 -179.799 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -58.53 -30.18 66.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.7 t -66.55 -32.08 73.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 33.7 mtp -66.5 -28.7 68.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.783 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -121.08 27.7 8.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.92 0.39 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -83.2 -61.41 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -100.12 32.88 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.02 27.59 3.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.75 -26.76 8.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 179.858 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.82 -34.19 3.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.602 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -51.85 -39.18 58.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.043 179.834 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -55.65 -30.95 61.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -103.41 26.3 8.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -140.43 26.12 2.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -110.02 129.24 55.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.74 25.9 5.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.837 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.665 HD12 ' CB ' ' A' ' 175' ' ' SER . 1.6 mt -83.86 155.01 64.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.543 0.687 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 114.16 3.62 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.643 2.229 . . . . 0.0 112.308 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -146.54 160.58 41.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.8 mt -71.18 105.92 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.098 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -97.83 149.45 22.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 60.84 171.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -158.79 45.12 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.74 176.41 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.39 -59.37 4.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 24.8 m 55.96 47.34 20.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.369 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -141.26 30.18 1.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -108.49 -174.17 2.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.79 171.04 0.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -99.63 97.92 1.86 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.446 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -150.94 169.55 21.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.923 0.392 . . . . 0.0 110.834 -179.76 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -106.15 46.44 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.969 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -110.45 168.68 9.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.416 ' O ' ' CG1' ' A' ' 87' ' ' ILE . 2.8 tp10 -127.18 109.54 11.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 -179.908 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.416 ' CG1' ' O ' ' A' ' 86' ' ' GLU . 22.0 pt 43.38 -164.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 7.4 p -130.41 156.19 45.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.2 mp -139.3 178.67 7.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -121.64 -72.43 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -139.22 -70.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.3 mt 71.07 -69.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.666 ' HB2' HD11 ' A' ' 142' ' ' ILE . 35.5 t -50.7 -45.73 58.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.812 -179.817 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.6 p -54.02 -52.27 61.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.844 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.44 -46.01 91.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.541 HD21 HD11 ' A' ' 128' ' ' LEU . 15.4 mt -54.28 -48.98 70.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.364 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -49.11 75.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.84 -50.93 69.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -58.74 -47.75 83.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.44 ' HA ' HD21 ' A' ' 103' ' ' LEU . 85.7 t60 -54.33 -45.05 72.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.15 -36.84 82.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.827 -179.762 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -63.78 -60.21 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 104' ' ' GLU . 1.4 pp -57.32 -47.16 82.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.466 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -55.87 -45.74 78.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.893 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.735 ' CD1' HG22 ' A' ' 154' ' ' THR . 2.5 t80 -61.52 -48.61 80.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.983 -179.84 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.435 ' HG2' HD11 ' A' ' 110' ' ' LEU . 3.9 ttt -63.94 -29.39 70.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.94 179.833 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -27.31 68.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -60.07 -41.82 93.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -127.98 97.71 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.681 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.8 mt -149.16 178.11 9.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.988 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -82.12 -178.2 6.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 179.854 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -61.39 -51.47 68.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.862 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -68.19 -50.6 53.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.681 ' CB ' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -54.78 -39.81 68.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.911 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -49.75 59.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.817 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -51.82 -46.37 64.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -76.09 -31.91 58.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.84 -44.58 90.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -55.81 -49.4 73.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 89.0 t -62.09 -42.95 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.531 HD21 HG12 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -60.29 -48.01 83.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.98 179.903 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -51.12 71.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -53.8 -51.92 61.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -55.89 -47.29 77.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.545 HG22 ' CD1' ' A' ' 129' ' ' ILE . 11.3 m -54.46 -51.28 65.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.898 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.63 -33.02 74.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.538 ' HB ' HD11 ' A' ' 33' ' ' LEU . 24.4 m -69.54 -56.24 7.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.122 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.772 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.2 pp -60.48 -33.8 73.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.545 ' CD1' HG22 ' A' ' 125' ' ' THR . 67.9 mt -70.02 -44.67 78.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.78 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -62.54 -48.37 79.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.4 mt -62.25 -48.65 87.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.462 ' O ' HG23 ' A' ' 136' ' ' VAL . 4.2 m-85 -63.77 -39.93 95.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.32 -47.44 86.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -63.86 -50.55 68.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.12 -50.26 74.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.695 HG12 ' O ' ' A' ' 141' ' ' LYS . 73.4 t -64.58 -33.53 63.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -65.41 -43.21 91.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -82.73 -20.13 36.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.79 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.6 tp -81.8 -58.21 3.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -147.08 34.18 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.844 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.695 ' O ' HG12 ' A' ' 136' ' ' VAL . 1.3 tttm 63.74 -169.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.666 HD11 ' HB2' ' A' ' 93' ' ' SER . 8.0 tp -157.12 147.56 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.191 179.929 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.34 150.29 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.179 179.85 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.492 HD12 ' OG1' ' A' ' 146' ' ' THR . 0.1 OUTLIER -115.22 93.68 36.41 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.54 0.686 . . . . 0.0 110.919 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -45.04 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.61 2.207 . . . . 0.0 112.315 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.492 ' OG1' HD12 ' A' ' 144' ' ' LEU . 1.1 m 64.53 83.01 0.2 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.6 0.715 . . . . 0.0 111.176 -179.895 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 152.27 69.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.9 tt -115.24 -10.7 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.99 -34.99 10.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -51.39 -49.1 62.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.08 79.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 21.5 mt -56.66 -53.39 58.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -54.5 -62.65 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.996 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.735 HG22 ' CD1' ' A' ' 105' ' ' TYR . 65.9 p -53.52 -32.78 51.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.828 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -70.62 -31.71 68.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -83.63 119.64 25.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 7.0 tp -160.49 121.87 3.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -154.89 -62.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.959 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 14.4 m -83.05 94.16 7.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.985 -179.881 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -75.77 -37.28 59.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -131.33 93.85 3.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -178.95 157.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.821 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.72 109.19 15.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.94 -43.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.951 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -67.86 -25.81 65.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.57 -26.66 5.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.112 -179.91 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -69.0 -69.06 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 93.8 m -48.54 -44.82 36.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.172 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.2 mm -62.66 -44.88 99.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.174 179.849 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -34.22 75.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -54.94 12.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.837 -179.876 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 22.0 pt -60.1 -35.75 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 173' ' ' LEU . 18.1 mt -67.18 -52.97 34.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -56.37 -47.2 79.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.795 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.665 ' CB ' HD12 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -60.87 -47.92 84.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.872 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.4 tp -54.3 -52.2 62.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -57.09 -57.13 13.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -52.87 -46.52 67.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -54.88 -53.05 60.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.796 -179.832 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.23 -42.89 74.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 181' ' ' LYS . . . . . 0.652 ' HG2' HD11 ' A' ' 38' ' ' LEU . 5.4 mtmt -57.85 -60.34 3.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.875 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.23 -31.81 49.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.162 179.87 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 55.1 m -62.61 -45.11 94.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 184' ' ' LEU . 4.6 tp -71.78 -44.97 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -22.67 66.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 37.8 t -82.59 -51.64 7.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 7.5 t -56.28 -28.58 59.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 -179.938 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -72.4 135.2 45.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.808 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -115.14 -19.82 10.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.969 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -81.8 74.43 8.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.5 p -72.12 145.11 12.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.3 109.65 14.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -95.6 -179.37 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.874 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.04 40.53 4.86 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.459 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -89.12 65.53 7.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.761 0.315 . . . . 0.0 110.827 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.1 t80 62.39 175.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 t -89.28 -34.27 16.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 43.94 -163.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -160.7 84.19 0.68 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 p 53.03 -174.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.47 159.6 36.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.547 0.689 . . . . 0.0 111.161 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -170.3 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.606 2.204 . . . . 0.0 112.423 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -95.34 25.52 4.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.3 mtm-85 -114.11 74.18 2.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.556 0.693 . . . . 0.0 110.836 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 81.69 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.777 2.318 . . . . 0.0 112.337 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.7 t -70.84 -11.3 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.11 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 63.84 28.01 14.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.971 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.28 169.94 10.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 -179.908 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.5 p -51.74 -44.43 63.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.177 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.4 -51.46 58.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -61.19 -40.64 94.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.5 t -61.6 -54.3 36.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.93 -51.91 54.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.37 -38.46 93.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.647 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.6 OUTLIER -66.69 -37.85 85.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.7 0.286 . . . . 0.0 110.832 -179.873 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.568 HG22 HD12 ' A' ' 38' ' ' LEU . 23.4 mm -65.8 -51.24 64.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 t -61.87 -38.36 88.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -66.47 -55.59 14.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.484 HG22 HD11 ' A' ' 41' ' ' ILE . 7.8 p -61.23 -32.53 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.675 ' O ' HG23 ' A' ' 42' ' ' VAL . 9.8 mt -66.62 -48.55 69.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.4 t90 -63.29 -41.11 98.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.958 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -62.56 -48.7 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.484 HD11 HG22 ' A' ' 37' ' ' VAL . 46.3 mt -59.07 -46.79 91.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.047 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 38' ' ' LEU . 90.2 t -57.53 -54.74 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -56.78 -44.25 81.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.629 ' SD ' HD21 ' A' ' 173' ' ' LEU . 0.0 OUTLIER -65.98 -31.88 73.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.616 ' HA ' HD23 ' A' ' 173' ' ' LEU . 0.2 OUTLIER -67.68 -51.21 52.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.2 pttt -70.24 -28.63 65.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.47 -35.99 66.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.7 mt -61.22 -30.13 70.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 79.6 m -96.04 34.2 1.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 62.63 27.75 16.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.36 37.23 93.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.472 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -97.49 124.62 41.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -29.57 69.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.827 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.9 -41.28 77.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.32 -34.41 68.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.0 mtp -62.69 -29.05 70.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -119.82 27.16 8.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -97.24 -64.01 1.08 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.12 21.61 7.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -97.53 26.56 4.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.53 -29.69 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.73 -36.86 5.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.29 -39.3 63.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.788 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -59.79 -26.11 65.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -106.5 26.06 10.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -142.16 25.75 1.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.6 mt -118.51 132.8 56.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.14 23.37 12.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.854 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.467 HD12 ' OG ' ' A' ' 175' ' ' SER . 2.1 mt -83.99 154.64 64.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 122.07 8.76 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.718 2.278 . . . . 0.0 112.334 179.826 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -145.79 160.58 41.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.6 mp -91.48 134.88 28.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.72 174.92 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -69.75 107.44 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -143.62 33.51 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.918 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 71.19 -70.11 0.16 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.842 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 142.72 172.99 14.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.5 m -104.02 101.91 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -99.67 96.35 7.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 61.79 89.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.1 t -66.61 147.9 52.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.106 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -137.17 -174.29 13.26 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.435 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -32.7 72.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 110.958 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -125.98 139.34 53.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 60.54 -173.17 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 57.91 56.0 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.823 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 13.7 tt -116.97 144.32 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 10.5 m -103.85 -33.72 8.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 57.56 32.95 22.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 86.6 mt -97.09 158.32 15.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -96.56 -71.25 0.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.889 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.1 mt 70.79 -69.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 t -50.89 -49.59 59.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.812 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -53.96 -52.38 60.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.89 -46.01 95.0 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.401 HD13 HG12 ' A' ' 129' ' ' ILE . 16.7 mt -54.01 -49.01 69.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.809 0.338 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.91 HD11 HD22 ' A' ' 144' ' ' LEU . 2.1 mt -62.13 -49.11 77.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.859 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.54 -51.9 66.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -56.83 -49.43 75.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.002 -179.892 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.495 ' HA ' HD21 ' A' ' 103' ' ' LEU . 52.7 t-80 -54.13 -45.53 71.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.926 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.85 -39.58 94.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.797 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.451 ' HB3' HD12 ' A' ' 172' ' ' ILE . 21.5 m-85 -64.35 -64.45 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.495 HD21 ' HA ' ' A' ' 100' ' ' HIS . 2.2 pp -51.67 -42.07 61.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.822 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.455 ' HG2' HD12 ' A' ' 103' ' ' LEU . 4.6 mm-40 -64.23 -39.13 93.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.805 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.739 ' CE1' HG22 ' A' ' 154' ' ' THR . 5.9 t80 -63.73 -45.51 89.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.767 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 12.9 ptm -73.58 -31.01 63.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.852 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.714 ' HA ' HD12 ' A' ' 110' ' ' LEU . 1.1 tmtt? -51.71 -38.73 56.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.907 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.93 -44.21 94.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -104.32 84.27 2.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 107' ' ' LYS . 13.6 mt -149.18 177.77 9.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -84.7 -176.0 6.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.839 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -51.27 69.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.883 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.54 -50.65 57.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.855 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.565 ' HB3' HD13 ' A' ' 110' ' ' LEU . 9.1 mttt -55.62 -37.35 68.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -65.95 -53.08 43.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -52.96 -45.14 67.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.817 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -71.34 -37.3 71.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.2 -46.36 79.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.814 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -55.53 -38.27 69.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 85.9 t -72.7 -36.99 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.43 HD11 HG13 ' A' ' 41' ' ' ILE . 1.3 mp -66.44 -51.64 54.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -64.11 -44.16 93.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -59.06 -49.29 78.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -59.23 -47.31 85.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.681 HG22 ' CD1' ' A' ' 129' ' ' ILE . 10.5 m -55.46 -51.25 67.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 -179.9 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -59.01 -38.52 79.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.429 HG22 ' CD1' ' A' ' 131' ' ' ILE . 89.2 m -63.92 -54.35 36.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.885 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.647 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -62.42 -30.69 71.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.972 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.681 ' CD1' HG22 ' A' ' 125' ' ' THR . 48.6 mt -70.92 -40.65 76.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.845 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -70.64 -39.23 73.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.429 ' CD1' HG22 ' A' ' 127' ' ' THR . 27.3 mt -66.78 -51.6 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -63.32 -48.53 77.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -59.84 -40.48 88.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -63.79 -48.8 75.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.604 ' O ' HD12 ' A' ' 139' ' ' LEU . 1.0 OUTLIER -57.89 -52.14 66.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.837 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.4 m -65.8 -30.41 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.103 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -43.94 85.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -77.43 -30.61 53.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 135' ' ' GLU . 0.3 OUTLIER -70.49 -48.48 55.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -140.42 -75.59 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.79 168.26 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.409 HD12 ' H ' ' A' ' 143' ' ' VAL . 6.0 tp -177.28 138.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.115 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.409 ' H ' HD12 ' A' ' 142' ' ' ILE . 6.2 m -152.95 173.19 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.862 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.91 HD22 HD11 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -149.92 154.5 37.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.629 0.728 . . . . 0.0 110.861 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.518 ' O ' HG23 ' A' ' 146' ' ' THR . 53.9 Cg_endo -69.73 -87.0 0.0 OUTLIER 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.686 2.257 . . . . 0.0 112.411 179.789 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -178.52 158.94 1.09 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.509 0.671 . . . . 0.0 111.238 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.51 ' HD2' HG22 ' A' ' 146' ' ' THR . 53.7 Cg_endo -69.8 119.64 6.55 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.637 2.225 . . . . 0.0 112.37 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.5 tt -128.88 -38.5 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 15.1 m -51.88 -36.02 47.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -50.75 -49.37 58.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.04 -48.52 75.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.0 mt -54.78 -55.0 34.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.07 -62.53 1.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.739 HG22 ' CE1' ' A' ' 105' ' ' TYR . 67.8 p -51.13 -32.92 24.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -30.98 45.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.9 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -66.07 -174.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.457 HD23 ' HB2' ' A' ' 159' ' ' SER . 0.1 OUTLIER -61.21 106.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.947 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -68.09 -27.94 66.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.457 ' HB2' HD23 ' A' ' 157' ' ' LEU . 0.5 OUTLIER -55.62 175.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.901 -179.82 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.88 45.32 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -156.11 35.89 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -55.02 157.47 3.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -77.04 105.18 7.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 58.76 54.12 5.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -65.4 -42.82 92.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.795 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.64 -26.46 5.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.149 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -69.62 -69.03 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 70.8 m -48.5 -46.39 38.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 37.8 mm -60.92 -51.01 78.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -61.81 -27.96 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.52 -55.25 9.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.451 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.9 pt -61.1 -36.52 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.629 HD21 ' SD ' ' A' ' 44' ' ' MET . 1.0 OUTLIER -67.35 -49.71 62.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.901 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.4 ttpp -61.02 -48.06 83.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.809 179.84 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.467 ' OG ' HD12 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -61.45 -40.18 93.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.832 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 12.9 tp -63.37 -49.74 72.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -57.24 13.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -56.71 -36.04 69.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.445 ' HA ' HG12 ' A' ' 182' ' ' VAL . 36.0 t80 -70.14 -31.79 69.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 28.7 mt -72.22 -45.77 58.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.75 -43.95 87.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.794 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 179' ' ' PHE . 7.3 p -69.02 -34.0 61.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.883 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 6.1 m -69.09 -48.36 62.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.193 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.572 ' O ' HD13 ' A' ' 184' ' ' LEU . 3.3 tm? -71.32 -31.66 67.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -73.22 -38.44 66.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 6.5 t -73.48 -51.98 15.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.5 t -51.63 -31.49 25.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.47 138.69 39.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -105.31 16.51 25.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 13.9 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 -179.884 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.5 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.838 0.351 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.57 84.52 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.4 p -56.55 134.85 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.1 mmt-85 -141.76 148.61 39.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.8 mtm180 -88.26 -179.67 6.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.858 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.24 -43.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.48 144.5 48.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -89.54 178.64 6.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 t -123.31 -35.22 2.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.049 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.01 -170.25 2.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -172.21 42.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.7 p -128.1 152.37 48.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.104 -179.833 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.21 159.67 71.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 111.214 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -171.26 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.753 2.302 . . . . 0.0 112.362 179.956 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -98.58 -30.95 12.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -144.5 155.97 56.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.566 0.698 . . . . 0.0 110.937 179.903 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 108.3 2.06 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.415 HG12 HG23 ' A' ' 26' ' ' THR . 21.8 t -101.53 -13.05 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 63.48 24.89 14.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.005 -179.833 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.458 ' O ' HG23 ' A' ' 30' ' ' VAL . 1.2 p -93.01 163.94 13.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.093 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -51.56 -47.0 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 p -52.52 -51.33 60.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.4 tm0? -60.89 -37.47 82.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 26' ' ' THR . 90.3 t -63.69 -54.04 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.714 ' O ' HG23 ' A' ' 35' ' ' THR . . . -58.07 -51.9 55.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.41 -45.08 94.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.459 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.683 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.7 OUTLIER -61.63 -50.22 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.68 0.276 . . . . 0.0 110.84 -179.861 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.532 HG21 ' CD2' ' A' ' 184' ' ' LEU . 5.3 mm -54.0 -46.47 65.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 179.878 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 31' ' ' GLY . 32.2 p -63.37 -40.66 97.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.082 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -59.7 -55.55 32.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.712 HG22 HD11 ' A' ' 41' ' ' ILE . 7.6 p -62.42 -38.21 80.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.181 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.4 mp -57.95 -48.29 80.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.949 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -66.52 -42.17 87.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -59.58 -43.03 93.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.712 HD11 HG22 ' A' ' 37' ' ' VAL . 24.2 mt -66.14 -49.74 74.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.914 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 38' ' ' LEU . 91.4 t -56.66 -46.66 82.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.153 179.883 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.37 -40.85 94.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.2 ttp -65.31 -31.55 72.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.519 ' NH1' HD12 ' A' ' 173' ' ' LEU . 0.0 OUTLIER -74.05 -51.59 15.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.826 -179.913 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -28.69 67.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -59.78 -34.64 73.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.404 HD23 ' HE3' ' A' ' 114' ' ' LYS . 21.9 mt -53.92 -38.47 64.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 57.8 m -97.45 37.16 1.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t30 63.23 37.01 11.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.24 44.1 91.57 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.459 179.884 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -100.91 109.34 21.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.744 0.306 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.6 -28.76 70.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.46 -26.14 66.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -26.18 68.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.7 mtp -67.71 -50.64 56.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -96.7 29.68 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.29 -48.57 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.01 23.37 13.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.47 -27.42 31.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.6 -33.23 66.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.92 -26.16 14.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.72 -33.46 48.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.801 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -51.97 -30.18 23.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -117.9 26.03 9.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -140.31 26.06 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 179.877 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.624 HD11 ' HE2' ' A' ' 174' ' ' LYS . 0.8 OUTLIER -118.75 -69.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.953 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 58.0 24.43 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 179.886 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.4 mp -82.23 160.69 62.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 82.26 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.644 2.229 . . . . 0.0 112.349 179.905 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -118.69 160.88 21.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.505 HG23 ' HE1' ' A' ' 179' ' ' PHE . 31.2 pt -106.95 149.73 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -170.95 48.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -174.36 -179.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 61.57 90.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -114.7 32.12 6.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.853 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -145.12 -109.2 0.62 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.548 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 3.8 t 60.45 49.69 6.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -119.84 162.06 19.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 52.59 89.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.0 m -71.2 131.53 43.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.22 -130.07 1.21 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.428 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -80.96 -39.49 25.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.789 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -77.98 100.07 6.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -162.88 178.5 8.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -165.05 -70.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.0 pt -149.45 152.89 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.17 110.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.846 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.8 tt -170.99 -50.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.4 mt 62.67 -177.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.997 179.906 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -131.47 65.78 1.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.789 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.61 HG22 HD11 ' A' ' 96' ' ' LEU . 70.9 mt -78.17 -31.46 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 179.883 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.9 p -61.68 -50.1 73.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.5 t -56.36 -52.04 66.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.05 -50.99 58.5 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.61 HD11 HG22 ' A' ' 92' ' ' ILE . 16.1 mt -55.12 -51.36 66.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 -179.89 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.749 ' CD1' HD22 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -53.49 -49.25 67.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.902 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -50.36 70.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.555 ' CB ' HD13 ' A' ' 176' ' ' LEU . 23.7 m-85 -55.14 -46.88 75.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.964 -179.895 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -57.28 -49.21 76.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.772 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.9 p -61.99 -33.05 73.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.753 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.834 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.9 m-85 -68.21 -64.65 0.82 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.901 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 pp -53.04 -36.6 60.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.1 -46.34 74.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.822 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -59.0 -45.13 91.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.499 ' SD ' HG23 ' A' ' 169' ' ' ILE . 13.4 ptm -75.05 -27.22 59.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.88 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -67.99 -32.64 73.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.55 -25.53 64.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.34 90.01 2.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.623 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.6 mt -145.44 178.0 8.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.86 -175.94 3.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -63.81 -51.08 66.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.877 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -72.27 -46.94 53.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.623 ' CB ' HD22 ' A' ' 110' ' ' LEU . 18.8 mmtm -55.69 -36.65 67.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.865 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -69.89 -44.48 69.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.86 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -49.13 77.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.769 179.936 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -70.28 -41.18 73.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.69 -44.66 73.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.806 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -55.66 -49.66 72.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.86 -39.79 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.623 HD11 HG13 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -60.2 -50.05 75.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.901 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -59.75 -49.26 78.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -52.54 59.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -56.09 -45.99 79.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.618 HG22 ' CD1' ' A' ' 129' ' ' ILE . 7.5 m -55.68 -51.25 67.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 -179.781 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -60.8 -34.87 75.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.58 ' HB ' HD11 ' A' ' 33' ' ' LEU . 56.8 m -66.24 -56.03 13.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.683 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -61.04 -31.67 71.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.94 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.618 ' CD1' HG22 ' A' ' 125' ' ' THR . 63.8 mt -71.93 -39.84 67.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.791 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -68.93 -40.4 79.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 87.4 mt -69.14 -47.79 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.569 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.7 m-85 -65.22 -46.9 78.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -63.52 -40.49 97.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -63.0 -51.22 67.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.03 -52.05 67.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 132' ' ' PHE . 97.3 t -59.59 -52.85 56.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 26.8 tttm -52.26 -44.02 64.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.841 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -66.44 -37.7 85.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.893 179.821 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.1 mp -69.87 -35.39 74.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -151.21 -75.14 0.15 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.37 -174.5 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 179.927 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.462 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.57 145.04 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.835 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.462 ' N ' HD13 ' A' ' 142' ' ' ILE . 6.5 m -152.75 173.07 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.887 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.749 HD22 ' CD1' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -149.75 154.62 37.8 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.624 0.726 . . . . 0.0 110.875 179.913 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -86.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.655 2.237 . . . . 0.0 112.365 179.808 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 178.45 147.41 0.36 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.562 0.696 . . . . 0.0 111.113 -179.938 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 110.09 2.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.248 . . . . 0.0 112.353 179.914 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -121.0 -32.75 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 179.877 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.7 p -51.86 -40.16 60.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -50.69 -49.97 56.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.43 -47.36 76.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 16.1 mt -56.01 -53.82 52.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.842 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.81 -62.73 1.46 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.966 179.843 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 82.7 p -51.2 -32.85 25.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.01 -39.05 58.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.846 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 13.0 mttt 56.4 -177.73 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 38.2 tp -124.83 -71.47 0.71 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -151.72 -64.92 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.6 m 62.37 68.26 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.86 -68.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -135.91 -49.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -57.35 163.13 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 42.9 p-90 -140.79 113.27 8.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.5 mt -123.95 41.95 3.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -77.43 -29.99 53.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.852 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.57 -26.09 8.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.925 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -70.05 -69.5 0.35 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.8 m -48.72 -43.64 37.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.499 HG23 ' SD ' ' A' ' 106' ' ' MET . 32.2 mm -63.27 -52.67 55.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -26.32 66.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -72.73 -56.72 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.834 HD12 ' HB3' ' A' ' 102' ' ' TYR . 9.5 pt -61.57 -41.77 91.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.519 HD12 ' NH1' ' A' ' 45' ' ' ARG . 1.5 mm? -65.7 -47.77 74.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.965 179.898 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.624 ' HE2' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -56.11 -48.83 75.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.901 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 20.0 t -60.96 -42.29 97.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.555 HD13 ' CB ' ' A' ' 99' ' ' TYR . 15.3 tp -56.53 -51.54 68.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.472 ' HB2' HG21 ' A' ' 41' ' ' ILE . 3.0 tm-20 -59.47 -55.22 37.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.854 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -53.63 -49.01 68.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.508 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 82.3 t80 -54.26 -50.39 67.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.893 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 62.4 mt -57.55 -40.57 79.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.72 -61.77 2.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.816 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 6.4 p -57.25 -38.45 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.449 ' HA ' HD11 ' A' ' 72' ' ' ILE . 60.8 m -58.07 -48.34 80.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.234 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.532 ' CD2' HG21 ' A' ' 34' ' ' ILE . 6.7 tp -67.87 -35.69 78.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.984 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -29.13 67.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.915 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.7 t -82.33 -50.11 9.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.703 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.453 HG22 ' HA ' ' A' ' 184' ' ' LEU . 6.8 t -61.14 -17.92 55.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.173 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -74.73 157.37 35.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.829 -179.922 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -179.33 101.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 -179.89 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -130.98 92.6 3.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.14 123.82 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.251 179.852 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -123.05 107.67 12.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.03 168.75 13.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.95 46.5 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.536 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -65.17 167.71 7.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.772 0.32 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.1 -174.53 2.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.819 -179.841 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.8 t -118.59 -29.71 5.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.175 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -104.54 159.1 16.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.6 p-10 -163.29 50.73 0.16 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.5 t -100.04 159.63 14.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 -179.905 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.42 159.63 68.61 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.569 0.7 . . . . 0.0 111.162 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -172.71 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.635 2.224 . . . . 0.0 112.34 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -65.63 -44.86 85.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -125.79 155.22 73.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 122.87 9.54 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.724 2.283 . . . . 0.0 112.398 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.5 p -101.32 -21.55 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.15 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 63.85 53.02 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.483 ' O ' HG23 ' A' ' 30' ' ' VAL . 10.1 p -107.01 162.79 13.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -51.42 -47.49 62.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 -179.94 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.52 -51.53 59.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.85 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -37.04 79.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 26' ' ' THR . 89.6 t -63.41 -54.43 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.18 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.714 ' O ' HG23 ' A' ' 35' ' ' THR . . . -57.88 -52.26 53.28 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.437 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.86 -43.74 94.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.536 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.833 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -63.58 -48.67 76.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.841 -179.865 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.569 ' N ' HD23 ' A' ' 33' ' ' LEU . 19.3 mm -54.49 -43.53 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.151 179.869 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 31' ' ' GLY . 29.7 p -65.65 -43.06 90.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.071 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -58.98 -55.5 34.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.715 HG22 HD11 ' A' ' 41' ' ' ILE . 7.3 p -59.67 -37.73 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.773 HD11 ' HG2' ' A' ' 181' ' ' LYS . 0.8 OUTLIER -58.59 -48.91 79.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.973 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -64.65 -42.89 95.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.16 -44.27 97.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.715 HD11 HG22 ' A' ' 37' ' ' VAL . 37.8 mt -61.94 -49.5 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.585 HG12 ' CE ' ' A' ' 46' ' ' LYS . 77.8 t -55.82 -58.71 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.041 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -55.95 -38.54 70.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.6 ttt -66.82 -31.93 72.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -51.22 21.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 -179.83 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.585 ' CE ' HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -70.68 -28.44 64.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.943 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -53.82 -36.8 62.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.0 mp -62.44 -30.28 71.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.77 34.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t30 60.41 33.95 20.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.846 179.934 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.99 44.72 94.42 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.497 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -99.66 112.01 24.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.82 -28.78 70.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.45 -26.98 64.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.879 179.9 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 12.3 t -68.26 -26.53 65.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.6 mmt -71.54 -36.96 71.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -100.99 27.99 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -101.52 -43.72 5.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.98 23.17 14.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -102.4 36.41 2.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.6 -33.44 4.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.65 -38.62 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.31 -33.31 63.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.714 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -57.81 -26.43 61.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -127.42 41.07 3.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -152.07 28.82 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.03 135.37 36.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.97 179.929 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.69 -24.22 58.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.891 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 mt -77.16 154.5 82.43 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.585 0.707 . . . . 0.0 110.952 179.892 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 160.73 48.61 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.634 2.223 . . . . 0.0 112.348 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -148.0 128.72 14.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.2 mt -51.82 135.22 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.192 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -138.06 157.11 47.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.1 ptt-85 -59.34 120.63 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -176.51 170.75 2.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -165.85 164.28 18.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 177.13 -179.72 47.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.494 -179.899 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.1 m 58.67 83.96 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 110.948 -179.854 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -136.87 -42.26 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.952 -179.827 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -131.21 179.23 6.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.8 t -71.26 158.69 35.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 -179.956 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 165.96 171.34 32.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.432 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -110.23 28.36 8.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.901 0.382 . . . . 0.0 110.972 -179.817 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -90.46 174.72 7.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -63.69 -48.33 77.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 57.64 94.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.6 tt -62.01 -34.29 62.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 54.93 -172.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.409 HD22 ' HB3' ' A' ' 140' ' ' HIS . 0.4 OUTLIER -59.93 137.7 58.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -180.0 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.7 -169.99 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 179.859 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.5 mttt 63.1 -170.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.822 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mt 71.11 -68.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.066 179.811 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.578 ' OG ' HD12 ' A' ' 144' ' ' LEU . 53.6 p -50.75 -50.35 55.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.907 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.486 ' HA ' HD11 ' A' ' 144' ' ' LEU . 2.6 t -57.65 -52.33 65.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.839 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.33 -52.61 51.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.496 HD23 HG12 ' A' ' 129' ' ' ILE . 1.6 mp -60.96 -34.59 74.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.907 0.384 . . . . 0.0 110.911 -179.912 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.725 HD21 ' HD3' ' A' ' 147' ' ' PRO . 14.7 tp -63.86 -49.74 71.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 179.927 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -62.02 -52.3 64.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.599 ' HB3' HD13 ' A' ' 176' ' ' LEU . 22.9 m-85 -55.18 -41.23 71.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 -179.91 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.453 ' HA ' HD21 ' A' ' 103' ' ' LEU . 52.2 t-80 -63.35 -43.57 97.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.915 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.55 -28.81 68.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.959 -179.849 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.774 ' HB3' HD12 ' A' ' 172' ' ' ILE . 20.2 m-85 -72.77 -55.27 6.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.922 -179.879 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 104' ' ' GLU . 1.9 pp -60.45 -43.45 96.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.565 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.5 pp20? -67.68 -32.88 73.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.468 ' HE2' HD22 ' A' ' 153' ' ' LEU . 15.7 t80 -66.83 -49.6 65.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.799 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.731 ' CE ' HD11 ' A' ' 110' ' ' LEU . 24.1 ptm -65.68 -42.02 91.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.538 ' HB2' ' HB1' ' A' ' 118' ' ' ALA . 5.4 tptm -59.2 -28.51 66.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.84 -24.31 64.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -153.42 71.36 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.731 HD11 ' CE ' ' A' ' 106' ' ' MET . 4.1 mt -119.97 178.04 4.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -175.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.974 179.763 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.3 -50.46 60.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.874 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -76.23 -44.91 35.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.803 -179.849 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.529 ' HB3' HD13 ' A' ' 110' ' ' LEU . 20.9 mmtm -55.91 -32.7 64.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -70.25 -42.19 72.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.825 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.02 -38.4 88.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.944 179.846 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.6 -47.1 23.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 107' ' ' LYS . . . -57.35 -47.08 82.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.886 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -53.19 -50.51 64.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 -179.903 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.08 -46.65 94.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' A' ' 41' ' ' ILE . 0.2 OUTLIER -58.47 -42.68 88.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.016 179.879 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.523 ' HA ' HD13 ' A' ' 103' ' ' LEU . 2.0 tt0 -61.02 -50.08 74.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -54.88 -51.57 65.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.93 -50.48 70.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.635 ' HA ' HD23 ' A' ' 128' ' ' LEU . 6.8 m -56.84 -50.53 72.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.873 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -54.75 -39.12 67.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.2 m -64.59 -50.98 65.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.056 -179.897 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.833 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -63.5 -30.84 71.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.939 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.496 HG12 HD23 ' A' ' 96' ' ' LEU . 78.9 mt -72.98 -39.22 57.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.02 -39.85 75.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.876 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.6 mt -69.12 -47.69 73.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.55 ' O ' HG23 ' A' ' 136' ' ' VAL . 4.4 m-85 -63.58 -47.13 82.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.31 -39.78 94.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -61.39 -53.45 56.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.47 -51.97 67.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.9 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 132' ' ' PHE . 93.7 t -59.54 -36.62 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -69.21 -35.56 76.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.3 -36.97 69.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.851 179.859 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.81 -58.09 3.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.409 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -122.72 -169.87 1.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.855 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -100.07 173.61 6.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.8 tp -176.05 146.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.186 179.858 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.8 m -143.41 177.49 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 179.771 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.578 HD12 ' OG ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -176.95 138.18 0.43 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.648 0.737 . . . . 0.0 110.972 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.4 ' HG2' ' H ' ' A' ' 146' ' ' THR . 52.6 Cg_endo -69.76 -85.35 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.645 2.23 . . . . 0.0 112.273 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.4 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 0.1 OUTLIER 178.83 147.44 0.38 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.538 0.685 . . . . 0.0 111.17 -179.888 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.725 ' HD3' HD21 ' A' ' 97' ' ' LEU . 53.3 Cg_endo -69.81 141.87 46.21 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.647 2.231 . . . . 0.0 112.348 179.917 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.4 tt -116.57 -20.43 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 97.4 p -51.71 -37.03 49.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -51.73 -50.35 60.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.56 92.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.835 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.5 mt -58.25 -64.04 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.468 HD22 ' HE2' ' A' ' 105' ' ' TYR . 10.6 mt -51.88 -55.03 22.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 179.872 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 64.1 p -55.05 -32.88 62.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -74.03 -26.89 60.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 179.869 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -80.25 147.79 31.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.0 pp -67.58 -172.65 0.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.61 179.13 6.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.13 169.8 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.86 -179.774 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.7 -179.03 0.1 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -96.87 84.83 3.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.32 131.66 7.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 62.61 95.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.968 -179.91 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -53.79 105.88 0.16 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -78.98 -28.1 43.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.93 -26.46 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.91 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -69.65 -68.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.97 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 93.5 m -48.34 -44.92 34.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.7 mm -63.38 -46.2 96.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -62.89 -32.23 73.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -55.1 10.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.853 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.774 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.6 pt -60.27 -36.16 66.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.87 -55.69 13.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -55.35 -45.46 76.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.4 t -61.53 -44.7 96.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.599 HD13 ' HB3' ' A' ' 99' ' ' TYR . 19.2 tp -57.18 -50.84 71.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -57.11 14.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.773 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.6 ' O ' HG23 ' A' ' 182' ' ' VAL . 3.6 mm-40 -54.08 -48.27 70.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -57.54 -48.78 78.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.58 HD13 HD22 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -54.37 -50.81 66.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 181' ' ' LYS . . . . . 0.773 ' HG2' HD11 ' A' ' 38' ' ' LEU . 2.0 mttt -56.79 -48.51 77.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.87 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 178' ' ' GLU . 57.3 t -61.25 -44.08 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.814 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 93.2 m -57.51 -46.98 83.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.077 -179.928 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.445 ' O ' HD13 ' A' ' 184' ' ' LEU . 0.8 OUTLIER -63.13 -49.45 74.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.984 179.975 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 53.1 ttt-85 -61.85 -32.54 72.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 29.3 t -70.25 -51.91 27.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.8 t -63.48 -25.02 68.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -78.66 165.94 23.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -179.3 101.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 35.2 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.183 -179.952 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.879 0.371 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -119.4 87.08 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.6 t -134.21 127.53 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -174.79 126.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -60.73 169.92 1.66 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.72 -44.44 0.19 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.524 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.5 t0 56.51 -179.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.811 0.339 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -56.77 144.26 33.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.009 0.433 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.0 t -129.93 6.94 5.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.197 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -68.77 146.51 52.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.16 90.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 p -77.04 101.26 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 -179.854 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -138.68 159.65 66.52 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.601 0.715 . . . . 0.0 111.096 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 177.15 5.89 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.749 2.299 . . . . 0.0 112.344 179.966 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -81.49 -53.56 6.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 51.89 74.2 0.83 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.587 0.708 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 82.51 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.731 2.287 . . . . 0.0 112.387 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.481 ' HB ' HG22 ' A' ' 26' ' ' THR . 47.6 t -90.34 -18.05 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 63.66 37.34 10.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.887 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.651 ' O ' HG23 ' A' ' 30' ' ' VAL . 3.1 t -110.31 159.88 17.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.167 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.9 p -51.14 -48.99 61.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -51.61 62.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.787 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.618 ' H ' HG23 ' A' ' 26' ' ' THR . 68.4 mm-40 -61.09 -39.33 89.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 26' ' ' THR . 93.1 t -63.28 -54.51 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.708 ' O ' HG23 ' A' ' 35' ' ' THR . . . -55.89 -51.85 52.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.16 -43.73 96.89 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 -179.859 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.95 -50.09 70.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.721 0.296 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.576 ' O ' HD23 ' A' ' 38' ' ' LEU . 18.0 mm -53.74 -44.91 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.882 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 31' ' ' GLY . 42.8 p -64.98 -42.85 94.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -59.13 -55.47 34.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 179.885 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.712 HG22 HD11 ' A' ' 41' ' ' ILE . 8.4 p -60.56 -36.21 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.675 HD11 ' HG3' ' A' ' 181' ' ' LYS . 1.3 mm? -60.21 -48.36 82.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -65.37 -42.03 93.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.868 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.95 -42.32 98.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.712 HD11 HG22 ' A' ' 37' ' ' VAL . 35.6 mt -65.41 -45.64 92.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.214 179.884 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 38' ' ' LEU . 98.5 t -60.01 -44.52 94.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.143 179.833 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -70.24 -42.9 71.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.418 ' O ' HD13 ' A' ' 48' ' ' LEU . 13.8 ttt -65.86 -31.76 72.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.0 ttp85 -75.28 -51.11 14.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -28.74 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -55.58 -39.58 70.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.499 HD12 ' HE3' ' A' ' 114' ' ' LYS . 9.0 mp -54.15 -30.57 49.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.2 m -95.95 32.36 1.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 58.27 29.51 18.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.71 44.37 95.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.462 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -100.6 117.93 35.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.922 0.391 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 83.3 p -59.62 -27.17 66.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -40.4 94.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.849 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 t -61.51 -34.22 75.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.4 mtp -62.91 -45.26 93.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -104.18 26.18 9.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -83.51 -61.69 1.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.72 26.51 10.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -98.13 27.36 4.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.94 -30.96 8.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.031 -179.956 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.37 -31.09 5.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.68 -32.63 71.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 179.826 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -52.89 -32.78 47.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 -179.929 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -120.79 26.89 8.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.91 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -138.03 27.1 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.09 132.74 36.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.26 -25.99 63.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.768 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.0 mt -79.61 154.89 76.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.616 0.722 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 149.98 67.53 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 179.763 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -147.67 123.36 10.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.584 ' HB ' HG11 ' A' ' 182' ' ' VAL . 57.8 mt -54.67 119.32 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.122 179.934 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -160.33 26.45 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 ptt180 -162.24 151.38 15.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -132.1 97.58 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 -179.905 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -100.96 162.84 12.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.94 162.71 12.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.487 -179.928 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.1 t -160.6 110.26 1.73 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.788 0.327 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.49 -174.77 4.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.915 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -109.4 -44.46 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.32 -57.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.169 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 169.41 168.52 31.5 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.457 179.955 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 60.35 179.68 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.97 0.414 . . . . 0.0 110.94 -179.712 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.5 t30 61.94 179.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -126.06 101.41 6.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.94 98.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.7 pt -120.32 159.0 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 25.7 m -87.23 147.95 25.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 179.879 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -153.96 159.65 41.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.969 179.936 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -175.47 -38.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.882 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.79 -170.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.9 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.1 mt 71.06 -68.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 p -50.87 -49.63 58.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.5 t -57.0 -52.17 66.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 -179.762 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.82 -51.7 57.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.483 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.476 HD23 HG12 ' A' ' 129' ' ' ILE . 2.6 mp -59.35 -40.43 86.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 0.0 110.922 -179.893 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.684 ' CD1' HD23 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -64.94 -49.14 71.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.839 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.605 ' N ' HD23 ' A' ' 97' ' ' LEU . 80.8 mt-10 -58.96 -50.74 72.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.844 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.441 ' HB3' HD13 ' A' ' 176' ' ' LEU . 19.7 m-85 -57.98 -45.26 87.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.849 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -57.0 -48.5 78.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.67 -36.44 83.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.837 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.601 ' HB3' HD12 ' A' ' 172' ' ' ILE . 11.7 m-85 -62.75 -64.37 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.439 HD23 HD22 ' A' ' 176' ' ' LEU . 1.6 pp -54.48 -39.11 67.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.94 -37.1 86.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.756 ' CE1' HG22 ' A' ' 154' ' ' THR . 12.0 t80 -68.19 -50.14 56.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.915 -179.883 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.3 ptm -68.45 -26.83 65.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.856 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -65.33 -30.21 71.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.94 -37.84 80.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.959 179.935 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -124.79 95.99 4.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.624 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.4 mt -146.54 176.0 10.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.974 179.898 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -73.75 -175.92 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.859 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -62.71 -51.03 68.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -73.79 -46.19 47.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.624 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.9 mmtm -55.86 -37.09 68.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.904 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.17 -49.65 59.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.901 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -54.56 -47.36 73.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -71.31 -40.04 71.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.95 -43.42 73.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.081 179.832 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -55.73 -49.53 72.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.76 -44.59 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.49 -47.11 82.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -61.2 -50.83 71.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -53.21 55.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -55.09 -50.52 68.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.701 HG22 HD12 ' A' ' 129' ' ' ILE . 18.9 m -53.54 -43.9 68.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.178 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -68.43 -31.51 70.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.431 HG22 HD11 ' A' ' 131' ' ' ILE . 5.4 m -67.23 -56.55 9.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.906 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.433 HD12 HG13 ' A' ' 129' ' ' ILE . 0.6 OUTLIER -62.29 -42.56 99.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.982 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.701 HD12 HG22 ' A' ' 125' ' ' THR . 85.2 mt -64.53 -37.19 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.805 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -70.12 -41.52 73.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 179.854 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.431 HD11 HG22 ' A' ' 127' ' ' THR . 18.0 mt -64.8 -51.81 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.117 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.72 -49.97 72.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -57.58 -40.47 79.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -65.25 -46.52 80.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.09 -52.0 67.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.2 m -66.7 -30.5 49.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -36.34 77.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.875 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -77.82 -41.64 36.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.871 179.831 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -49.15 49.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.847 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.28 -175.89 4.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.852 179.861 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -99.09 125.39 44.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.448 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.57 144.58 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.79 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.448 ' N ' HD13 ' A' ' 142' ' ' ILE . 4.9 m -153.18 153.43 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.739 HD22 ' C ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -51.4 154.77 2.85 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.621 0.724 . . . . 0.0 110.826 -179.958 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.415 ' HD2' ' HB2' ' A' ' 144' ' ' LEU . 53.8 Cg_endo -69.89 -86.67 0.0 OUTLIER 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.602 2.201 . . . . 0.0 112.366 179.838 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 178.45 146.99 0.36 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.572 0.701 . . . . 0.0 111.147 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.83 116.73 4.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.5 tt -130.52 -39.38 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.78 -36.06 72.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -51.02 -49.41 60.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.93 -48.64 75.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.872 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 16.8 mt -54.61 -55.03 33.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.59 -62.9 1.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.756 HG22 ' CE1' ' A' ' 105' ' ' TYR . 56.9 p -52.16 -32.84 37.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 179.928 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.5 -39.61 70.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 179.883 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -79.14 174.68 11.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -174.91 -42.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.97 179.879 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -179.17 125.47 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 6.6 t -171.88 50.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.739 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 61.98 169.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.73 28.34 8.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -122.6 -35.8 3.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 69.21 -75.95 0.06 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.55 154.18 31.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.943 179.901 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -66.37 -31.37 72.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.86 -26.38 5.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.852 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -69.44 -69.05 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.2 m -48.59 -44.93 37.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.106 -179.918 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.401 ' O ' HD23 ' A' ' 173' ' ' LEU . 39.5 mm -62.9 -46.15 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -62.95 -32.12 73.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.965 179.949 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.83 -55.09 10.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.601 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.9 pt -60.29 -36.11 66.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 169' ' ' ILE . 2.8 mm? -67.13 -54.87 17.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -55.26 -49.01 73.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.01 -47.45 85.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.441 HD13 ' HB3' ' A' ' 99' ' ' TYR . 7.6 tp -54.11 -52.01 62.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.62 -56.41 21.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.916 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.628 ' O ' HG23 ' A' ' 182' ' ' VAL . 0.3 OUTLIER -53.15 -50.14 65.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.874 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -57.56 -46.48 83.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.97 -179.928 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 9.9 mt -55.01 -49.72 70.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 181' ' ' LYS . . . . . 0.675 ' HG3' HD11 ' A' ' 38' ' ' LEU . 1.1 mtpm? -58.36 -49.74 76.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.91 179.861 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 178' ' ' GLU . 29.4 t -61.29 -36.38 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 179.879 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 97.0 m -63.27 -59.35 4.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.082 -179.962 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.486 ' O ' HD13 ' A' ' 184' ' ' LEU . 1.0 OUTLIER -55.87 -46.35 78.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.955 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 57.3 ttt85 -64.28 -33.85 76.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 30.4 t -71.04 -52.08 21.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.797 -179.763 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 8.9 t -61.61 -25.1 67.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.213 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -78.44 116.3 18.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.63 16.54 5.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.895 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 82.5 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 -179.939 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.895 0.378 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.53 70.88 1.42 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.9 p -83.69 146.07 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.62 107.35 7.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.6 mtp85 -115.57 174.93 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.36 36.09 0.11 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -107.12 140.6 39.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.8 0.333 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -128.25 137.04 51.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.7 t -121.91 -40.5 2.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.056 -179.803 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 44.07 -163.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -175.29 90.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.81 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.1 p -85.37 139.02 31.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 -179.95 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.21 159.65 40.56 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.672 0.749 . . . . 0.0 111.135 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.75 -171.28 0.46 Allowed 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.667 2.245 . . . . 0.0 112.384 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -105.83 30.08 6.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -113.67 73.74 2.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.541 0.686 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 116.78 4.72 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.585 2.19 . . . . 0.0 112.301 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.6 t -108.78 -14.86 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 179.849 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 63.56 51.83 2.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.003 -179.873 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.48 HG23 ' H ' ' A' ' 29' ' ' GLN . 2.2 t -107.97 159.07 16.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -51.37 -47.13 62.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.27 -51.71 51.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.829 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.48 ' H ' HG23 ' A' ' 26' ' ' THR . 8.4 mm-40 -60.65 -41.57 95.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.973 -179.928 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.2 t -61.13 -54.53 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.185 179.902 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.73 -51.76 52.95 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.26 -40.46 93.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.953 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.671 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -65.28 -38.68 91.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.348 . . . . 0.0 110.924 -179.935 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.524 ' O ' HD23 ' A' ' 38' ' ' LEU . 25.0 mm -63.69 -55.88 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.895 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.6 t -57.82 -41.85 83.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -63.72 -55.14 25.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -31.88 41.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.666 ' O ' HG23 ' A' ' 42' ' ' VAL . 2.1 mm? -67.15 -49.0 66.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -61.74 -42.22 98.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.3 -48.07 81.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.0 mt -58.96 -41.45 83.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 38' ' ' LEU . 93.5 t -62.44 -50.36 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.113 179.826 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.61 -41.85 95.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.5 ttt -67.29 -34.79 78.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.8 ttp85 -68.21 -51.32 46.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.3 -28.31 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.71 -34.71 59.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.551 HD21 HG21 ' A' ' 169' ' ' ILE . 9.6 mp -67.51 -29.53 68.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.92 31.3 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 62.87 39.49 10.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 53.49 45.02 67.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.464 179.958 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -100.75 102.74 13.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 110.905 -179.875 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.69 -28.93 64.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.852 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -71.35 -26.59 62.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 48.1 t -65.54 -28.69 69.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.0 mtp -57.44 -33.34 67.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.935 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -120.55 26.94 8.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -86.26 -48.72 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.8 23.42 13.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -101.97 38.31 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.27 -25.1 9.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 -179.979 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.84 -37.78 2.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.859 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.496 ' HB1' ' CZ ' ' A' ' 171' ' ' PHE . . . -56.49 -28.32 59.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.15 179.813 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -56.45 -26.44 53.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -114.45 29.0 8.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -147.42 28.48 0.98 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.462 HD22 HD12 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -96.58 -47.93 5.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.994 179.941 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.98 23.95 10.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.785 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.462 HD12 HD22 ' A' ' 67' ' ' LEU . 20.4 mt -84.11 159.27 60.06 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.653 0.739 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 93.11 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.632 2.221 . . . . 0.0 112.346 179.874 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -143.2 139.4 30.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.4 mp -51.83 122.97 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.184 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -100.21 62.64 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 58.05 65.76 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.794 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.62 -52.51 64.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 54.79 -169.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.06 19.68 47.75 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 27.8 m 54.86 -174.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.927 0.394 . . . . 0.0 110.824 -179.882 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -110.17 141.52 42.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.31 -176.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.46 106.46 2.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.944 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.88 -177.03 35.1 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -119.78 48.78 1.48 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.924 0.392 . . . . 0.0 110.951 -179.81 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.77 -59.12 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.974 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.33 129.31 29.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.07 34.56 4.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 69.3 mt -78.57 -50.98 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 69.21 -75.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 179.905 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -172.17 159.12 4.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -177.99 104.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.879 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -144.48 94.52 2.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.831 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.2 mt -115.6 -25.67 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.905 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.43 ' HB3' HD11 ' A' ' 142' ' ' ILE . 1.0 OUTLIER -70.96 -33.01 70.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.874 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.8 t -57.34 -52.23 66.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.21 -51.13 40.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.996 HD21 HD11 ' A' ' 128' ' ' LEU . 1.2 tp -55.27 -44.86 76.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.94 0.4 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 45.3 mt -64.5 -49.25 72.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.42 -53.39 58.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -55.56 -46.6 77.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.439 ' HA ' HD21 ' A' ' 103' ' ' LEU . 22.2 t-80 -56.22 -47.49 78.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 p -63.72 -35.1 79.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.769 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.426 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.8 m-85 -66.17 -64.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.868 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 104' ' ' GLU . 1.2 pp -51.29 -46.23 62.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.454 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -57.34 -51.18 70.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.79 ' CD1' HG22 ' A' ' 154' ' ' THR . 1.7 t80 -54.8 -40.78 69.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.823 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.487 ' HG2' HD11 ' A' ' 110' ' ' LEU . 2.5 ttp -71.18 -31.58 67.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 179.913 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.533 ' HB2' ' HB1' ' A' ' 118' ' ' ALA . 4.7 tptm -65.62 -32.72 74.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -59.21 -20.69 56.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -144.56 79.4 1.6 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.595 HD13 ' HB3' ' A' ' 114' ' ' LYS . 5.2 mt -136.49 178.24 7.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -71.22 -177.46 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.827 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -63.4 -51.25 66.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.813 179.846 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -72.32 -49.14 36.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.595 ' HB3' HD13 ' A' ' 110' ' ' LEU . 6.2 mttt -55.72 -28.54 56.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -68.31 -45.65 72.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.564 ' O ' HG23 ' A' ' 120' ' ' VAL . 0.6 OUTLIER -67.69 -38.34 83.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.843 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -72.74 -48.96 34.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.935 179.899 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.533 ' HB1' ' HB2' ' A' ' 107' ' ' LYS . . . -58.03 -50.09 74.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.859 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -53.77 -49.99 67.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 116' ' ' ASP . 74.1 t -59.0 -43.35 88.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.62 -46.83 83.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -60.38 -48.47 81.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.893 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -53.82 -51.58 63.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.78 -49.6 76.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.761 HG22 HD11 ' A' ' 129' ' ' ILE . 4.7 m -56.46 -49.62 74.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 -179.912 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -55.32 -45.29 76.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.812 -179.894 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.503 HG22 HD11 ' A' ' 131' ' ' ILE . 2.0 m -59.3 -54.71 43.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 -179.907 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.996 HD11 HD21 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -60.57 -30.08 69.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.939 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.761 HD11 HG22 ' A' ' 125' ' ' THR . 25.7 mt -68.91 -44.11 81.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.816 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -66.28 -47.22 74.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.906 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.503 HD11 HG22 ' A' ' 127' ' ' THR . 7.2 mt -60.76 -52.27 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -62.14 -45.36 93.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -56.51 -42.46 78.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -65.65 -49.64 67.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -55.67 -52.28 64.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.808 -179.888 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.466 HG11 HD13 ' A' ' 142' ' ' ILE . 7.9 p -66.63 -31.14 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -41.12 97.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.858 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -88.17 -19.92 26.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.81 179.9 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 11.8 mt -81.63 -58.23 3.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -143.85 36.94 1.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.795 179.894 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 63.77 -176.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.466 HD13 HG11 ' A' ' 136' ' ' VAL . 8.0 tp -150.69 147.66 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.821 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 18.7 m -103.45 154.24 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.601 HD12 ' OG1' ' A' ' 146' ' ' THR . 0.1 OUTLIER -124.62 94.0 45.3 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.588 0.709 . . . . 0.0 110.932 -179.982 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 144' ' ' LEU . 53.7 Cg_endo -69.77 -45.66 1.5 Allowed 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.687 2.258 . . . . 0.0 112.352 179.851 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.601 ' OG1' HD12 ' A' ' 144' ' ' LEU . 16.6 m 64.57 82.82 0.21 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 0.0 111.145 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 151.27 68.9 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 179.939 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.8 tt -119.15 -10.15 11.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.9 p -47.94 -35.95 11.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -51.65 -50.35 60.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -52.51 -45.3 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.066 179.9 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 14.2 mt -60.46 -48.97 79.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.911 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.445 HD23 ' CE2' ' A' ' 105' ' ' TYR . 0.6 OUTLIER -54.04 -60.54 3.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.948 179.922 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.79 HG22 ' CD1' ' A' ' 105' ' ' TYR . 30.9 p -53.61 -40.47 65.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -63.64 -40.24 96.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 2.9 mttt 69.17 -75.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.1 mt -178.01 -56.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.92 179.844 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.77 -41.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.98 171.33 13.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.795 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -95.1 101.15 12.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.87 -31.81 4.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 62.31 72.1 0.51 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 -79.47 91.29 5.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.1 mt 52.36 50.45 18.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.16 -26.2 66.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 179.881 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.8 -26.36 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -69.39 -69.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.0 m -48.84 -45.11 40.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.551 HG21 HD21 ' A' ' 48' ' ' LEU . 38.7 mm -62.75 -44.72 99.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.158 179.865 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -62.56 -33.02 74.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.992 179.858 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 0.496 ' CZ ' ' HB1' ' A' ' 63' ' ' ALA . 0.7 OUTLIER -70.09 -55.17 10.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.773 -179.912 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.426 HD12 ' HB3' ' A' ' 102' ' ' TYR . 25.2 pt -58.69 -35.72 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.73 -54.56 18.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -58.08 -49.93 75.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.846 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 86.7 p -60.69 -41.06 94.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.9 tp -58.22 -54.84 42.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.546 ' OE1' HG22 ' A' ' 42' ' ' VAL . 3.3 tt0 -57.44 -56.66 18.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.874 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 182' ' ' VAL . 3.5 mt-10 -53.34 -44.3 68.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.403 ' HE1' HD13 ' A' ' 96' ' ' LEU . 44.6 t80 -57.69 -48.8 78.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.7 mt -57.56 -53.26 60.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 181' ' ' LYS . . . . . 0.505 ' CG ' HD11 ' A' ' 38' ' ' LEU . 29.5 mtmt -51.76 -50.51 60.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.786 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 178' ' ' GLU . 85.1 t -59.1 -45.9 92.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 179.834 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 48.4 m -59.31 -34.56 72.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.478 ' O ' HG22 ' A' ' 187' ' ' THR . 1.1 tm? -70.54 -52.09 24.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 50.7 ptt85 -67.98 -19.96 64.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.795 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 74.8 p -80.79 -49.45 11.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.823 -179.728 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 184' ' ' LEU . 8.9 t -59.8 -23.03 62.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -78.21 -172.8 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 63.34 16.73 9.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 67.6 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 -179.902 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.819 0.342 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 56.24 60.63 3.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.9 p -115.12 142.65 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.043 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.58 65.96 1.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.2 mmm-85 -147.88 168.66 21.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.36 51.88 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -105.33 88.05 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.349 . . . . 0.0 110.783 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -156.55 157.01 34.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 t -126.59 -37.52 2.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.227 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 62.82 167.26 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -168.45 36.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 -179.919 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.2 p -103.52 149.37 24.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.104 -179.802 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.28 159.58 35.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.701 . . . . 0.0 111.106 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 178.14 4.88 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.653 2.235 . . . . 0.0 112.401 179.9 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -154.04 41.83 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 61.31 160.4 0.11 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.573 0.702 . . . . 0.0 110.936 -179.844 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 105.64 1.52 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.671 2.248 . . . . 0.0 112.346 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.476 ' HB ' HG22 ' A' ' 26' ' ' THR . 50.4 t -94.57 -22.05 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 63.46 25.23 14.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.816 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.476 HG22 ' HB ' ' A' ' 24' ' ' VAL . 9.0 t -109.64 168.61 9.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.75 -36.8 27.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.01 -43.27 75.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.924 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.406 ' H ' HG23 ' A' ' 26' ' ' THR . 30.4 tp60 -62.68 -51.49 67.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.438 HG23 ' N ' ' A' ' 31' ' ' GLY . 19.2 m -60.44 -43.98 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 179.9 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.7 ' O ' HG23 ' A' ' 35' ' ' THR . . . -58.67 -52.31 53.79 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.459 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.94 -39.79 97.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.544 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.568 HD21 ' O ' ' A' ' 124' ' ' ASP . 3.3 tt -64.35 -46.94 81.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.338 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.541 ' O ' HD23 ' A' ' 38' ' ' LEU . 21.5 mm -59.05 -42.97 88.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.792 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 31' ' ' GLY . 34.9 p -64.88 -43.65 92.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -58.88 -55.59 33.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.771 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.717 HG22 HD11 ' A' ' 41' ' ' ILE . 9.1 p -60.01 -35.6 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.753 HD11 ' HG3' ' A' ' 181' ' ' LYS . 1.0 OUTLIER -60.35 -48.59 81.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.6 t90 -65.28 -41.81 93.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -62.69 -41.5 99.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.717 HD11 HG22 ' A' ' 37' ' ' VAL . 36.3 mt -65.23 -47.42 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 38' ' ' LEU . 92.0 t -58.87 -46.76 90.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.189 179.871 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.8 -42.1 82.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.406 ' O ' HD13 ' A' ' 48' ' ' LEU . 3.0 ttt -66.01 -31.82 72.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 179.912 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -51.04 17.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.859 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -69.23 -28.79 66.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.941 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.55 -39.91 74.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.508 HD12 ' HE2' ' A' ' 114' ' ' LYS . 7.4 mp -55.25 -28.88 56.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.905 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.8 m -98.41 31.03 2.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 179.85 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.21 28.6 18.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.77 43.02 92.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.93 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -99.53 107.61 19.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 110.909 -179.863 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.6 p -54.45 -29.7 50.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.787 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -31.09 72.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.6 t -63.31 -27.28 69.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.8 mtp -63.71 -50.22 70.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -110.83 37.42 2.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.812 -179.85 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -76.64 -43.09 39.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.498 ' CG ' HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -143.9 27.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 -179.989 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.51 ' HA ' ' HB3' ' A' ' 63' ' ' ALA . 5.2 p-10 -77.33 -26.08 51.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.791 -179.931 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.64 -34.9 53.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.498 HD21 ' CG ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -102.4 -31.11 10.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.933 -179.995 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' ' 60' ' ' ASP . . . -59.26 -33.85 71.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.738 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -53.71 -31.68 49.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -114.94 34.04 5.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -142.92 26.77 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.947 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.0 132.56 50.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.8 -26.06 20.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.816 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.64 160.8 49.98 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.7 0.762 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 142.74 48.37 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.744 2.296 . . . . 0.0 112.272 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -145.75 143.3 29.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.796 HD12 HG13 ' A' ' 182' ' ' VAL . 72.8 mt -80.48 105.14 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.204 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -102.75 120.22 40.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.32 178.1 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.897 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -151.57 -45.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -74.41 134.05 42.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.66 95.79 2.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.524 -179.895 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 71.4 m -110.41 59.98 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.907 0.384 . . . . 0.0 110.93 -179.913 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.6 t80 61.3 95.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.003 -179.875 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 52.69 85.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.2 p 51.26 -170.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.155 -179.929 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.45 -32.36 2.35 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.527 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.2 t80 52.27 31.39 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.878 -179.873 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -170.33 -173.37 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -62.94 -73.48 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -171.28 73.32 0.05 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.921 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 50.7 mm -103.06 100.82 11.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.602 ' C ' HD13 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -165.23 128.99 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.891 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.681 ' N ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -149.93 165.12 33.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.64 -178.55 5.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -84.58 87.64 7.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 179.861 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.2 mt -91.75 -37.17 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.853 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 m -52.06 -44.47 64.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.0 m -57.19 -51.96 67.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.846 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -55.67 -51.15 56.84 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.852 HD12 HD11 ' A' ' 129' ' ' ILE . 0.7 OUTLIER -56.42 -45.88 80.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.358 . . . . 0.0 110.879 -179.878 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.667 HD13 HD13 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -57.33 -49.33 76.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.92 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -56.64 -52.67 64.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -56.32 -45.15 80.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.824 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -56.23 -48.4 76.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 m -62.77 -37.61 87.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.751 -179.772 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.634 ' HB3' HD12 ' A' ' 172' ' ' ILE . 14.1 m-85 -61.57 -63.57 1.23 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 -179.884 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.0 pp -55.91 -35.86 67.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.04 -46.11 90.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 179.862 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.709 ' CE1' HG22 ' A' ' 154' ' ' THR . 9.1 t80 -65.54 -42.98 91.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.759 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.8 ttt -70.35 -25.85 63.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -70.66 -26.04 63.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -36.53 77.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -129.25 97.16 4.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.887 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.68 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.0 mt -149.05 176.14 10.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.956 179.933 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -75.39 -175.98 2.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.832 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -51.02 68.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -73.91 -45.91 47.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.68 ' CB ' HD22 ' A' ' 110' ' ' LEU . 0.6 OUTLIER -55.71 -39.67 71.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.868 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -65.56 -49.62 68.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.834 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -54.38 -48.39 71.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.864 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -67.64 -40.99 84.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.92 -46.06 74.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 179.83 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 14.1 ttt-85 -55.65 -49.59 72.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.8 -179.897 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 90.2 t -60.12 -40.45 83.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.635 HD21 HG12 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -59.75 -50.21 74.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.948 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -59.37 -51.64 69.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -53.95 -53.15 56.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.568 ' O ' HD21 ' A' ' 33' ' ' LEU . 28.1 m-20 -53.95 -46.42 71.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.65 HG22 ' CD1' ' A' ' 129' ' ' ILE . 9.4 m -58.11 -47.13 84.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 -179.936 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.64 -33.33 74.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.1 m -69.14 -56.2 8.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.924 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 pp -59.73 -33.21 71.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.961 179.916 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.852 HD11 HD12 ' A' ' 96' ' ' LEU . 66.7 mt -71.74 -42.92 70.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -43.84 95.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 179.934 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 52.5 mt -67.29 -53.02 36.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -58.67 -48.52 80.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -61.31 -41.31 96.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -63.19 -40.68 98.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -65.38 -52.17 55.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 34.3 m -64.94 -33.54 64.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 -179.935 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.04 -41.17 78.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -78.31 -25.37 46.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.8 tp -79.98 -48.21 13.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -137.22 -75.15 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.975 179.802 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.4 -169.75 0.15 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.866 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.48 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -174.07 146.08 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.905 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.48 ' N ' HD13 ' A' ' 142' ' ' ILE . 17.8 m -142.41 166.55 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.188 179.847 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.667 HD13 HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -179.16 137.63 0.32 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.608 0.718 . . . . 0.0 110.858 179.958 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -86.45 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.737 2.291 . . . . 0.0 112.37 179.835 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 178.82 147.61 0.39 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.573 0.702 . . . . 0.0 111.145 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 120.19 7.01 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 5.5 tt -116.64 -22.49 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -45.69 64.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.82 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -50.97 -49.9 59.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.33 -53.23 56.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.028 179.874 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.0 mp -51.75 -53.83 35.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.422 HD11 HG21 ' A' ' 168' ' ' THR . 3.9 mm? -52.69 -64.23 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.709 HG22 ' CE1' ' A' ' 105' ' ' TYR . 64.2 p -51.57 -32.88 30.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.931 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -30.55 31.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.883 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 12.7 mttt 58.74 177.34 0.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.2 mt -155.85 89.58 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 63.29 161.34 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 63.9 m -89.95 85.18 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.894 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -146.99 34.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -106.9 134.66 49.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.892 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -158.06 -48.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -146.41 31.8 0.99 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 165' ' ' ARG . 4.5 pp -112.25 -25.92 9.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 165' ' ' ARG . . . . . 0.422 ' N ' HD12 ' A' ' 164' ' ' LEU . 32.7 ptt85 -57.31 -28.93 63.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.84 -26.73 10.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.194 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -69.76 0.33 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.819 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 168' ' ' THR . . . . . 0.422 HG21 HD11 ' A' ' 153' ' ' LEU . 98.3 m -48.77 -45.18 39.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.23 179.945 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.475 HG21 HD21 ' A' ' 48' ' ' LEU . 1.7 mp -61.6 -49.78 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.854 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.46 -29.37 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -55.22 9.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.634 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.2 pt -61.93 -37.0 77.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.26 -53.05 33.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -58.72 -43.07 90.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.871 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 5.2 t -64.23 -42.46 96.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.544 HD11 HD11 ' A' ' 180' ' ' LEU . 11.6 tp -62.8 -41.11 99.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.0 -57.25 8.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.824 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -56.66 -37.18 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.792 -179.867 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.84 -48.78 70.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 -179.89 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.544 HD11 HD11 ' A' ' 176' ' ' LEU . 31.2 mt -60.72 -37.7 82.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.869 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 181' ' ' LYS . . . . . 0.753 ' HG3' HD11 ' A' ' 38' ' ' LEU . 3.3 mtpp -66.55 -59.77 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 179.867 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.796 HG13 HD12 ' A' ' 72' ' ' ILE . 11.3 p -56.87 -31.05 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 179.884 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 98.7 m -78.02 -32.92 51.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.499 ' HG ' HG21 ' A' ' 34' ' ' ILE . 3.2 tm? -72.47 -35.71 68.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.896 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.63 -37.65 24.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 48.3 t -69.68 -49.13 56.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.3 t -51.85 -29.7 20.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -58.98 -178.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -114.67 -19.86 10.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 40.6 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.922 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.832 0.349 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -150.71 94.95 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.999 179.935 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.9 t -118.6 144.33 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.17 120.18 31.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -129.64 177.84 6.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.41 -19.88 1.88 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.908 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -117.32 90.19 3.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.84 0.353 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 53.45 -172.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.819 -179.924 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.3 t -102.25 -32.52 10.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -145.87 151.58 38.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -161.65 27.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.99 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 p 52.71 -173.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.98 159.52 30.78 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.593 0.711 . . . . 0.0 111.184 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -179.24 2.8 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.703 2.269 . . . . 0.0 112.296 179.972 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -124.53 26.36 7.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.5 mtp85 -126.79 74.31 75.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.677 0.751 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 86.55 0.57 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.579 2.186 . . . . 0.0 112.395 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.14 -12.25 10.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 63.41 54.16 2.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.835 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.469 HG23 ' H ' ' A' ' 29' ' ' GLN . 6.6 t -119.79 164.99 15.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.96 -34.15 19.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -68.45 -44.9 73.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.869 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.469 ' H ' HG23 ' A' ' 26' ' ' THR . 1.2 tm0? -61.3 -50.61 72.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.0 m -62.22 -39.95 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.63 -52.82 50.13 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.432 179.913 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.21 -36.31 92.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.447 -179.87 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.691 HD21 ' O ' ' A' ' 124' ' ' ASP . 7.6 tt -69.33 -35.97 76.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.789 0.328 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.772 HG21 HD22 ' A' ' 184' ' ' LEU . 40.1 mt -68.53 -47.89 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.092 179.875 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.8 t -64.29 -40.43 95.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -65.18 -55.06 20.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.527 HG22 HD11 ' A' ' 41' ' ' ILE . 8.5 p -60.43 -33.29 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 -179.948 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' ' 180' ' ' LEU . 8.4 mt -64.73 -49.01 72.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.0 t90 -63.21 -42.62 99.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -43.67 98.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.527 HD11 HG22 ' A' ' 37' ' ' VAL . 33.4 mt -61.75 -47.02 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.46 HG12 ' HD3' ' A' ' 46' ' ' LYS . 86.4 t -59.49 -44.31 92.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.893 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -69.09 -42.56 75.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.3 -31.78 72.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.54 -51.06 13.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -68.39 -28.72 67.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.93 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -53.72 -40.92 66.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.453 HD21 HG21 ' A' ' 169' ' ' ILE . 9.7 mp -54.9 -27.69 44.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.13 31.13 2.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.836 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.06 26.19 15.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.23 42.55 99.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -89.42 106.58 18.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.901 -179.887 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.9 p -52.62 -39.52 61.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.791 -179.837 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -65.59 -37.41 86.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.6 t -54.37 -27.45 36.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.5 mtp -67.98 -50.94 52.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -102.35 32.95 3.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.49 -62.46 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.6 29.98 7.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.914 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -96.22 29.76 2.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.61 -35.08 6.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.28 -36.1 5.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.58 -30.83 71.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 179.775 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.49 -27.29 68.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 -179.934 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.44 27.31 9.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -139.7 26.15 2.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.436 HD23 ' CD2' ' A' ' 171' ' ' PHE . 0.7 OUTLIER -92.19 -40.67 10.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.984 179.924 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.47 22.32 9.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.778 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.7 mt -84.03 158.47 61.56 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.712 0.767 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 83.42 0.69 Allowed 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.658 2.238 . . . . 0.0 112.365 179.828 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -122.94 147.88 46.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.4 mt -52.15 144.17 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.21 92.97 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 62.62 103.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -139.04 152.97 48.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -149.92 57.99 0.98 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.41 47.69 89.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 69.25 -75.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -173.66 86.93 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 58.72 -170.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.02 -40.31 95.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 -179.886 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.53 159.22 7.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.5 179.937 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -123.22 -58.35 1.63 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.951 0.405 . . . . 0.0 111.042 -179.805 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -172.18 -46.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 179.946 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -57.69 178.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 62.19 177.81 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.42 178.83 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -134.36 120.23 19.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.28 116.15 28.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.92 149.59 28.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 179.831 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -149.2 27.34 0.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.993 179.766 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.7 mt -90.08 -41.37 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.221 179.802 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -47.85 81.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 -179.856 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.3 t -53.83 -52.32 60.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.834 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.85 -51.04 61.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.455 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.498 HD23 HG12 ' A' ' 129' ' ' ILE . 0.9 OUTLIER -55.57 -48.94 73.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.861 0.362 . . . . 0.0 110.912 -179.886 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.807 HD22 HD11 ' A' ' 144' ' ' LEU . 0.4 OUTLIER -56.89 -49.19 76.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.88 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -54.96 -49.97 70.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -55.89 -50.18 71.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.933 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.458 ' HA ' HD21 ' A' ' 103' ' ' LEU . 38.7 t-80 -55.6 -43.7 76.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.3 m -63.64 -38.57 91.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.661 ' HB3' HD12 ' A' ' 172' ' ' ILE . 21.6 m-85 -63.97 -61.65 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 -179.921 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.547 HD13 ' HA ' ' A' ' 122' ' ' GLN . 2.4 pp -54.23 -38.83 66.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.538 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -68.5 -35.45 77.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.977 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -70.68 -38.34 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 -179.842 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.565 ' HG2' HD11 ' A' ' 110' ' ' LEU . 3.6 ttp -75.13 -34.56 61.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.93 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.428 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -62.69 -25.79 68.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.959 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -59.84 -39.99 87.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.971 179.864 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -130.25 98.82 4.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.625 HD22 ' CB ' ' A' ' 114' ' ' LYS . 8.5 mt -149.03 178.02 9.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -79.19 -176.0 4.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.796 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -62.59 -51.06 68.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.882 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.48 -48.78 59.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.625 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.9 mmtm -55.96 -37.46 69.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -52.91 39.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.832 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -53.16 -45.89 68.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.896 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -70.68 -40.01 73.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.79 -42.66 75.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.038 179.802 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -55.6 -43.64 76.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.82 -34.75 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.417 HD21 HG12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -66.53 -52.08 49.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.997 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.547 ' HA ' HD13 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -64.83 -42.36 95.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.931 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -58.87 -53.14 61.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.691 ' O ' HD21 ' A' ' 33' ' ' LEU . 80.5 m-20 -56.87 -55.22 37.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.769 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.7 m -55.91 -44.57 78.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.843 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -53.97 -53.45 52.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.421 HG22 ' CD1' ' A' ' 131' ' ' ILE . 98.7 m -61.41 -36.05 79.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.577 HD23 HD22 ' A' ' 33' ' ' LEU . 1.1 tm? -64.06 -52.08 61.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.498 HG12 HD23 ' A' ' 96' ' ' LEU . 10.2 mt -60.08 -37.87 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.873 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.67 -48.17 78.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.735 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.421 ' CD1' HG22 ' A' ' 127' ' ' THR . 35.2 mt -64.01 -53.32 45.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.623 ' O ' HG23 ' A' ' 136' ' ' VAL . 2.8 m-85 -57.99 -41.69 83.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -61.6 -49.47 76.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -56.98 -51.24 70.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -56.0 -52.01 65.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 132' ' ' PHE . 99.0 t -59.73 -44.39 93.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.1 179.928 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -56.66 -44.25 81.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -77.11 -23.06 51.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 179.854 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' ' 140' ' ' HIS . 0.5 OUTLIER -73.22 -58.04 3.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.928 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.408 ' HB2' HD23 ' A' ' 139' ' ' LEU . 0.5 OUTLIER -151.05 29.99 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.832 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 30.6 mttt 61.69 166.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.0 tp -177.54 136.45 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.147 179.85 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.5 m -148.07 159.91 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 179.897 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.807 HD11 HD22 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -151.68 154.88 33.67 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.659 0.742 . . . . 0.0 110.917 179.991 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.519 ' O ' HG23 ' A' ' 146' ' ' THR . 54.3 Cg_endo -69.7 -87.03 0.0 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.749 2.3 . . . . 0.0 112.354 179.851 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.525 HG22 ' HD2' ' A' ' 147' ' ' PRO . 0.0 OUTLIER -178.8 159.0 1.02 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.505 0.669 . . . . 0.0 111.201 -179.964 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.525 ' HD2' HG22 ' A' ' 146' ' ' THR . 53.2 Cg_endo -69.78 154.83 67.2 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.767 2.311 . . . . 0.0 112.249 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.72 -35.46 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.899 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.739 ' O ' HD12 ' A' ' 153' ' ' LEU . 25.4 m -54.25 -28.24 40.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.946 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -51.46 -45.42 62.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -63.45 -31.92 73.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.049 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 24.9 mt -69.2 -57.57 5.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.739 HD12 ' O ' ' A' ' 149' ' ' SER . 1.5 mp -56.85 -46.32 81.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 65.9 p -63.95 -41.98 97.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -55.52 -38.24 68.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.42 123.34 28.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.22 142.92 18.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -166.14 179.53 5.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.911 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.1 m -160.83 89.61 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.763 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -164.07 46.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm 52.27 64.07 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -93.97 148.47 22.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 29.3 p-90 -132.21 26.27 4.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.7 mp -95.11 -25.95 16.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -56.61 -28.47 60.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -27.05 11.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 -179.922 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -69.78 -69.61 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.893 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.7 m -48.65 -45.87 39.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.453 HG21 HD21 ' A' ' 48' ' ' LEU . 1.7 mp -61.14 -50.23 81.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -58.24 -30.99 66.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.995 179.85 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 0.436 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -71.14 -55.35 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.967 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.661 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.0 pt -61.92 -37.2 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.032 -179.947 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.22 -56.4 10.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -54.02 -45.24 71.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 8.3 t -60.83 -49.34 77.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.1 tp -53.11 -55.71 21.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.36 -53.42 54.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.837 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.547 ' O ' HG23 ' A' ' 182' ' ' VAL . 0.0 OUTLIER -53.03 -46.15 68.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.948 -179.912 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.436 ' HE2' HD13 ' A' ' 96' ' ' LEU . 39.1 t80 -62.68 -36.0 81.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.585 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -63.22 -58.79 6.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -45.88 79.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.845 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 178' ' ' GLU . 69.3 t -61.21 -52.78 57.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 54.8 m -51.53 -49.79 61.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.772 HD22 HG21 ' A' ' 34' ' ' ILE . 5.8 tp -61.38 -41.23 96.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -64.16 -30.8 71.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 26.9 t -74.51 -52.06 13.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 -179.83 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.2 t -59.87 -32.66 70.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -59.22 158.59 8.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -59.71 -21.01 60.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 81.0 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 -179.841 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.794 0.331 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -141.51 112.91 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.03 146.43 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.07 -179.964 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -163.28 151.11 13.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -67.78 178.66 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.42 55.38 0.5 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.454 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.49 -179.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -56.81 154.22 9.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 t -125.54 -36.75 2.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.915 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 43.92 -163.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.31 92.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.809 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.1 p -52.0 105.49 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.6 159.61 50.62 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.64 0.733 . . . . 0.0 111.169 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -170.77 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.729 2.286 . . . . 0.0 112.341 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -94.18 39.93 1.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -129.1 153.74 80.38 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.66 0.743 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.89 121.91 8.56 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.651 2.234 . . . . 0.0 112.337 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.408 ' O ' HG12 ' A' ' 24' ' ' VAL . 18.8 t -95.33 -10.17 9.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 63.68 54.29 1.88 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 -179.884 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.474 HG23 ' H ' ' A' ' 29' ' ' GLN . 1.8 t -108.51 159.07 16.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.171 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -51.08 -47.52 61.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.8 m -51.56 -51.33 56.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.474 ' H ' HG23 ' A' ' 26' ' ' THR . 6.4 tp-100 -61.01 -39.38 89.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 26' ' ' THR . 95.3 t -61.76 -54.4 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.56 -52.17 53.46 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.437 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.31 -39.47 92.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.523 -179.912 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.655 HD21 ' HB3' ' A' ' 128' ' ' LEU . 1.0 OUTLIER -66.45 -39.95 89.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 -179.909 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.456 HG13 HD23 ' A' ' 184' ' ' LEU . 21.7 mm -62.46 -53.07 52.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.854 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 t -61.26 -37.82 84.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -67.33 -55.27 14.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.563 HG22 HD11 ' A' ' 41' ' ' ILE . 9.1 p -62.15 -32.4 54.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.647 ' O ' HG23 ' A' ' 42' ' ' VAL . 16.4 mt -67.03 -48.3 68.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -63.97 -40.54 96.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -49.55 74.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.563 HD11 HG22 ' A' ' 37' ' ' VAL . 38.4 mt -58.96 -46.16 91.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.084 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 38' ' ' LEU . 97.7 t -59.37 -46.65 92.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.886 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -65.81 -42.89 90.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.9 ttt -66.72 -31.87 72.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -73.88 -50.44 20.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.503 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -70.0 -28.85 65.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.949 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -54.06 -36.64 63.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mp -58.38 -28.81 65.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 98.1 m -97.25 29.26 3.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.4 t30 58.55 26.47 14.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.74 35.92 49.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.41 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -90.75 115.25 27.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.792 0.329 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.4 p -62.95 -40.04 96.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.62 -26.22 63.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -29.61 70.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.915 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.456 ' HE2' ' HB3' ' A' ' 46' ' ' LYS . 5.5 mtp -63.37 -49.21 74.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -110.44 33.78 4.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -69.62 -42.22 74.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.18 27.43 0.94 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 179.894 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.47 ' HA ' ' HB3' ' A' ' 63' ' ' ALA . 7.0 p-10 -76.67 -25.91 54.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.971 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.8 -29.92 21.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.084 179.914 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.88 -38.47 5.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 60' ' ' ASP . . . -52.66 -38.99 61.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 179.862 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -54.7 -29.74 53.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.878 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -108.34 28.83 7.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -136.82 26.82 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.005 HD23 HD21 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -107.9 126.88 53.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 179.939 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.5 -28.26 25.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.836 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.005 HD21 HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -63.77 156.26 73.26 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.593 0.711 . . . . 0.0 110.989 179.883 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 121.44 8.12 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 179.909 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -146.42 125.94 13.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 57.3 mt -54.39 144.05 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -174.46 36.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -121.04 168.85 11.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -141.63 120.46 12.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.864 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -156.19 165.73 35.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.902 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.01 160.79 14.57 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 57.0 m -112.65 -31.37 6.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.5 t80 60.66 89.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.972 -179.822 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.5 ' O ' HG23 ' A' ' 81' ' ' THR . 4.0 mt-30 53.62 -171.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 80' ' ' GLN . 0.6 OUTLIER -162.49 134.11 5.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.911 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.49 -49.73 0.82 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.455 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.23 -47.55 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.929 -179.787 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -97.19 -177.18 3.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -55.2 165.38 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.959 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -164.25 74.71 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.835 -179.862 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.4 pt -120.15 70.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 82.9 m -118.34 59.38 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.4 mt -128.96 166.41 19.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -164.45 -170.45 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.55 104.2 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.956 179.83 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.1 mt -117.22 -26.88 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -48.81 50.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.907 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.4 m -53.88 -52.21 61.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.97 -50.95 62.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.543 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.475 HD13 HG12 ' A' ' 129' ' ' ILE . 39.1 mt -55.46 -50.46 69.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.836 0.35 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.519 HD22 HD23 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -55.7 -49.29 73.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.849 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -51.38 65.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.75 ' HB3' HD13 ' A' ' 176' ' ' LEU . 25.1 m-85 -55.53 -48.81 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -54.86 -47.52 74.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.1 t -62.28 -37.23 84.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.912 -179.844 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.691 ' HB3' HD12 ' A' ' 172' ' ' ILE . 18.5 m-85 -64.15 -64.51 0.87 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 pp -53.33 -37.61 62.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.27 -38.43 85.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.611 ' CE2' HD22 ' A' ' 153' ' ' LEU . 53.8 t80 -66.85 -42.35 85.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.899 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.481 ' HG2' HD11 ' A' ' 110' ' ' LEU . 4.5 ttp -74.93 -34.14 62.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.416 ' HA ' HD12 ' A' ' 110' ' ' LEU . 3.2 tmtt? -60.79 -27.93 68.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.91 -41.27 91.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.892 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -126.3 96.62 4.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.624 HD22 ' CB ' ' A' ' 114' ' ' LYS . 7.7 mt -148.36 177.96 8.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -78.86 -176.15 4.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 179.89 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -62.43 -51.08 68.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.82 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -70.46 -48.39 56.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.624 ' CB ' HD22 ' A' ' 110' ' ' LEU . 19.8 mmtm -55.94 -36.93 68.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 179.919 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -51.49 47.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.779 179.895 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.74 -48.09 69.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -69.86 -39.52 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.95 -46.05 74.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.183 179.876 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -55.73 -49.56 72.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.8 -179.932 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.38 -43.04 93.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.11 -50.06 75.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -58.49 -49.51 77.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -53.93 -53.07 57.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.88 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -55.44 -45.65 76.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.624 HG22 ' CD1' ' A' ' 129' ' ' ILE . 6.7 m -56.13 -51.4 68.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.154 -179.935 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -63.04 -30.65 71.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.51 ' HB ' HD11 ' A' ' 33' ' ' LEU . 85.9 m -68.81 -52.44 30.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.16 -179.92 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.655 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -65.73 -32.32 73.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.818 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.624 ' CD1' HG22 ' A' ' 125' ' ' THR . 72.9 mt -72.58 -39.06 60.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.895 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -71.8 -38.48 70.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.456 ' CD1' HG22 ' A' ' 127' ' ' THR . 29.2 mt -70.41 -45.68 74.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.55 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.7 m-85 -67.77 -43.28 80.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -65.91 -43.31 88.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -63.8 -48.27 77.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.95 -52.0 67.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 132' ' ' PHE . 98.5 t -63.14 -38.03 80.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.854 179.929 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -71.78 -35.61 70.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.457 HD23 ' HB2' ' A' ' 140' ' ' HIS . 7.2 tt -70.48 -41.6 72.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.457 ' HB2' HD23 ' A' ' 139' ' ' LEU . 12.7 t-160 -149.22 -75.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 179.798 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.425 ' O ' HG12 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -179.3 174.12 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.934 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.428 HD12 ' H ' ' A' ' 143' ' ' VAL . 6.1 tp -177.23 139.97 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.214 179.921 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.428 ' H ' HD12 ' A' ' 142' ' ' ILE . 6.7 m -152.59 -178.43 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.12 179.818 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.745 HD22 ' C ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -151.76 155.03 33.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.696 0.76 . . . . 0.0 110.881 179.946 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 144' ' ' LEU . 54.2 Cg_endo -69.8 -86.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.749 2.299 . . . . 0.0 112.342 179.84 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 178.84 147.44 0.38 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.634 0.73 . . . . 0.0 111.162 -179.951 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.63 12.38 Favored 'Trans proline' 0 N--CA 1.464 -0.213 0 C-N-CA 122.728 2.286 . . . . 0.0 112.338 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 17.0 tt -119.18 -30.5 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.0 p -52.1 -30.12 24.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -51.94 -50.98 60.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.43 -39.59 88.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.87 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 25.0 mt -59.47 -63.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.611 HD22 ' CE2' ' A' ' 105' ' ' TYR . 5.5 mt -52.86 -52.9 55.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 58.6 p -56.56 -32.95 65.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.85 -26.34 64.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -131.02 91.79 3.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 179.925 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.94 -59.29 1.88 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.959 179.919 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 63.29 97.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.88 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 42.3 m -106.27 111.11 23.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.759 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -164.43 -179.76 6.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -52.7 63.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.974 179.87 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -118.3 167.55 11.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -176.45 173.5 2.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.96 179.922 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 2.5 tp -105.74 26.5 9.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -63.85 -26.98 68.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -26.52 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.58 -68.97 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.873 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.8 m -48.61 -44.7 37.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.1 mm -63.15 -46.51 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.158 179.866 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -62.93 -32.1 73.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.74 -54.97 11.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.691 HD12 ' HB3' ' A' ' 102' ' ' TYR . 21.2 pt -60.52 -36.03 67.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.53 -50.56 58.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.88 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -58.36 -44.38 88.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.568 ' CB ' HD11 ' A' ' 69' ' ' LEU . 2.6 p -64.91 -43.76 91.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.75 HD13 ' HB3' ' A' ' 99' ' ' TYR . 16.6 tp -57.43 -55.91 28.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.76 -53.04 62.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.909 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.573 ' O ' HG23 ' A' ' 182' ' ' VAL . 5.9 mt-10 -53.08 -48.87 67.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.909 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -58.48 -47.43 84.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.873 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.575 HD21 HD22 ' A' ' 128' ' ' LEU . 2.3 mt -54.26 -55.64 26.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -54.12 -53.77 48.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 178' ' ' GLU . 59.0 t -56.92 -35.8 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.096 179.911 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 96.6 m -63.37 -60.22 3.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.622 ' O ' HD13 ' A' ' 184' ' ' LEU . 1.1 tm? -55.41 -37.85 68.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 30.6 ttt-85 -68.6 -47.89 65.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 3.4 t -60.28 -52.17 66.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.729 -179.726 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.7 t -60.61 -23.68 64.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 33.6 mtp85 -82.29 121.24 26.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -122.18 -46.03 2.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.927 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.704 0.288 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.42 101.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.8 t -144.62 134.23 19.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.998 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -160.95 89.87 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -59.01 164.35 3.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.21 52.52 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.35 167.81 12.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.752 0.31 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.04 -179.53 3.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.954 -179.874 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.0 t -112.47 -35.6 5.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 -179.941 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 59.62 -179.03 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -169.05 31.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.8 p -140.01 124.04 17.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.251 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.9 159.53 68.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.587 0.708 . . . . 0.0 111.09 -179.847 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 -173.08 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.58 2.187 . . . . 0.0 112.425 179.825 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -105.88 -26.39 11.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.55 156.61 66.55 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.614 0.721 . . . . 0.0 110.871 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 104.88 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.635 2.223 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.8 -12.58 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.871 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 63.53 41.12 7.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.529 HG23 ' H ' ' A' ' 29' ' ' GLN . 2.8 t -108.04 160.19 15.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.0 p -51.16 -48.46 61.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.208 179.975 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.83 -51.51 56.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.529 ' H ' HG23 ' A' ' 26' ' ' THR . 1.5 tm0? -61.4 -41.93 97.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 26' ' ' THR . 91.6 t -60.97 -54.25 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.7 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.33 -51.62 54.95 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 179.961 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.88 -42.15 94.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.904 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.509 HD11 ' HA ' ' A' ' 124' ' ' ASP . 0.8 OUTLIER -64.42 -50.66 66.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.718 0.294 . . . . 0.0 110.953 -179.949 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.641 HG21 ' HG ' ' A' ' 184' ' ' LEU . 24.2 mm -53.9 -44.2 60.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.822 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 31' ' ' GLY . 33.8 p -64.58 -45.6 86.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -62.51 -55.15 30.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.486 HG22 HD11 ' A' ' 41' ' ' ILE . 8.5 p -59.69 -33.4 51.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.894 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.623 ' O ' HG23 ' A' ' 42' ' ' VAL . 12.4 mt -65.1 -48.33 74.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.6 t90 -63.47 -41.19 98.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.886 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -62.13 -47.31 85.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.486 HD11 HG22 ' A' ' 37' ' ' VAL . 43.7 mt -60.4 -48.12 89.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 38' ' ' LEU . 86.6 t -56.6 -55.37 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.788 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -57.42 -45.84 84.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.502 ' SD ' HD11 ' A' ' 173' ' ' LEU . 0.0 OUTLIER -63.08 -31.89 73.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.825 179.962 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.19 -51.24 40.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -70.66 -28.64 64.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -56.59 -29.97 62.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.3 mt -62.94 -26.82 69.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 60.5 m -102.72 29.93 5.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.882 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 t30 62.76 32.42 16.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.85 35.85 92.54 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -90.78 107.18 19.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.752 0.31 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.06 -28.36 51.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.809 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -37.93 89.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -27.05 66.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.5 mtp -69.69 -45.62 67.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -106.4 34.46 3.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -94.07 -63.06 1.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.48 32.91 4.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -99.13 27.27 5.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.756 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.01 -34.46 5.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.856 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.17 -36.86 5.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.597 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -53.86 -36.8 63.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.092 179.818 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -54.74 -30.17 55.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -109.18 26.2 10.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -141.32 26.1 2.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -102.7 -48.3 4.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 179.957 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.01 24.09 9.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.2 mt -84.02 159.28 60.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.617 0.722 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 105.38 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.671 2.247 . . . . 0.0 112.385 179.822 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.95 161.07 42.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.7 mp -78.55 129.65 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.053 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -134.86 44.88 2.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.946 179.88 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 54.85 86.81 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.834 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -124.77 124.96 43.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.19 150.69 48.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.864 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 151.84 50.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.528 -179.95 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -140.35 105.39 4.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -176.89 3.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -108.07 -37.09 6.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.0 m 57.51 70.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.171 -179.921 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.25 -171.05 2.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.465 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 61.87 -177.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.93 0.395 . . . . 0.0 110.886 -179.815 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -55.0 174.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.827 -179.921 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.17 121.4 27.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.5 134.48 11.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.897 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.4 pt -136.9 151.39 27.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 30.5 p -69.6 166.93 17.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.3 -70.09 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 59.39 177.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 179.867 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.24 -172.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.831 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mt 71.11 -69.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.105 179.808 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.77 -50.07 56.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.879 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -52.35 60.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.23 -46.56 94.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.595 HD22 ' CG1' ' A' ' 129' ' ' ILE . 20.5 mt -54.03 -44.78 71.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.742 0.306 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.551 HD22 HD23 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -65.06 -49.25 70.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.885 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.76 -53.0 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 179.848 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.411 ' HB3' HD13 ' A' ' 176' ' ' LEU . 24.0 m-85 -57.81 -47.4 82.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.978 -179.847 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.457 ' HA ' HD21 ' A' ' 103' ' ' LEU . 43.2 t-80 -54.53 -44.31 72.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.944 179.865 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -65.24 -41.48 94.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.408 ' HB3' HD12 ' A' ' 172' ' ' ILE . 15.5 m-85 -59.92 -63.0 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.874 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 104' ' ' GLU . 1.7 pp -54.27 -43.88 71.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.458 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.5 mm-40 -58.63 -39.67 81.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.565 ' CE1' HG22 ' A' ' 154' ' ' THR . 24.4 t80 -67.38 -44.98 77.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 -179.876 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 37.9 ttp -68.51 -30.93 69.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.06 -25.81 67.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.954 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -60.12 -37.49 80.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -134.01 100.78 4.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.637 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.1 mt -148.37 175.38 11.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -72.42 -176.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.789 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -63.01 -51.12 68.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -73.63 -45.74 51.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.637 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.8 mmtm -55.85 -39.86 72.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.928 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -68.04 -48.98 64.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.88 -48.8 66.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -72.67 -36.59 67.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.95 -45.74 74.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.079 179.713 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -55.65 -49.44 72.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.8 -40.43 85.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.464 HD21 HG12 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -61.37 -50.02 74.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -52.02 67.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 179.896 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 36.4 ttm-85 -53.73 -53.2 55.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.509 ' HA ' HD11 ' A' ' 33' ' ' LEU . 74.4 m-20 -54.07 -45.99 71.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.804 -179.917 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.669 HG22 ' CD1' ' A' ' 129' ' ' ILE . 11.0 m -56.9 -51.17 70.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.169 -179.869 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -63.27 -28.18 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.468 HG22 HD11 ' A' ' 131' ' ' ILE . 21.9 m -71.69 -56.1 6.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.861 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 pp -62.3 -34.54 76.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.931 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.669 ' CD1' HG22 ' A' ' 125' ' ' THR . 79.1 mt -70.32 -47.61 65.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.253 179.738 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -61.6 -40.61 95.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.829 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.468 HD11 HG22 ' A' ' 127' ' ' THR . 24.1 mt -67.04 -52.33 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -61.64 -46.55 89.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -61.56 -41.17 96.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.793 -179.939 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -63.56 -45.55 89.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -60.96 -52.24 65.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.4 m -65.43 -30.81 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -42.8 80.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.904 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -76.59 -30.63 57.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.9 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 28.2 tp -71.29 -47.37 57.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -141.78 -75.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.874 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -179.74 167.27 1.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.434 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.74 143.77 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 179.829 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.434 ' N ' HD13 ' A' ' 142' ' ' ILE . 5.8 m -153.09 178.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.856 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.741 HD22 ' C ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -152.01 154.89 33.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.681 0.753 . . . . 0.0 110.884 -179.98 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 144' ' ' LEU . 54.1 Cg_endo -69.74 -87.05 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.716 2.277 . . . . 0.0 112.324 179.909 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 178.12 147.28 0.35 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.562 0.696 . . . . 0.0 111.155 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 108.07 2.0 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.661 2.24 . . . . 0.0 112.361 179.927 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 2.9 tt -116.89 -24.78 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.154 179.922 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.99 -35.05 45.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.89 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -50.7 -51.14 52.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.68 -48.88 71.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.5 mt -54.07 -55.62 25.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.91 -63.07 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.565 HG22 ' CE1' ' A' ' 105' ' ' TYR . 61.9 p -51.77 -32.99 33.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -72.31 -34.82 68.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -82.8 118.88 23.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 14.1 tp -173.41 141.91 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -163.51 165.61 23.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.1 m -86.59 145.93 26.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.81 -174.72 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.09 -71.56 0.17 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.908 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.91 -55.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 20.4 m-90 -62.58 110.74 1.8 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.2 tp -173.1 -62.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.96 -26.72 63.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.941 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.76 -26.46 9.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -179.91 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -69.3 -69.69 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.9 m -48.85 -44.59 39.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.217 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.52 -48.32 89.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.185 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -62.07 -29.22 70.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 179.877 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -55.21 8.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.408 HD12 ' HB3' ' A' ' 102' ' ' TYR . 17.9 pt -60.1 -37.47 73.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 179.9 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.502 HD11 ' SD ' ' A' ' 44' ' ' MET . 3.6 mm? -67.74 -54.99 14.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.541 ' NZ ' HD11 ' A' ' 67' ' ' LEU . 1.8 ttpm? -57.94 -45.6 86.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.004 179.804 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.4 t -61.23 -46.37 90.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.411 HD13 ' HB3' ' A' ' 99' ' ' TYR . 22.3 tp -56.61 -58.12 9.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -52.73 -51.25 61.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.598 ' O ' HG13 ' A' ' 182' ' ' VAL . 8.1 mt-10 -58.34 -38.51 77.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.417 ' HA ' HG22 ' A' ' 182' ' ' VAL . 38.2 t80 -68.97 -30.04 68.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 55.1 mt -73.22 -46.65 49.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -64.13 -43.88 93.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.808 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 178' ' ' GLU . 21.9 m -68.96 -36.81 75.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.929 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 187' ' ' THR . 21.6 m -72.37 -34.99 68.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.641 ' HG ' HG21 ' A' ' 34' ' ' ILE . 1.7 tm? -73.84 -40.25 63.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -75.22 -32.96 61.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 32.9 t -74.07 -51.55 15.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.771 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 183' ' ' THR . 14.0 t -57.85 -29.79 65.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 -179.943 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -80.93 95.85 6.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.791 -179.938 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -93.23 -18.35 22.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.07 -179.878 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.889 0.376 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.0 93.73 2.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.951 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.1 t -133.8 140.44 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.23 80.13 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -101.36 178.61 4.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.99 30.39 14.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.538 -179.874 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -118.88 83.38 2.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.786 0.327 . . . . 0.0 110.805 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -133.14 163.64 28.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.769 -179.911 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.7 t -123.05 -35.05 3.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.209 -179.862 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -52.09 145.69 10.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -165.25 29.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.911 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.1 p -147.26 158.73 44.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -179.958 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.4 159.63 70.87 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.531 0.682 . . . . 0.0 111.155 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -170.95 0.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.725 2.283 . . . . 0.0 112.383 179.938 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -90.5 -42.6 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -125.82 155.28 73.01 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.633 0.73 . . . . 0.0 110.834 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 137.38 35.15 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.702 2.268 . . . . 0.0 112.319 -179.969 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.4 m -111.09 -19.48 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.152 179.93 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 60.65 32.97 20.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 -179.848 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.2 p -106.63 175.2 5.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.213 179.936 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.03 -35.33 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.9 m -68.3 -45.02 74.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.823 -179.854 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -61.06 -51.14 70.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.1 m -61.73 -41.18 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.7 -52.42 53.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.416 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.98 -39.32 97.93 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.511 -179.871 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.727 HD21 ' O ' ' A' ' 124' ' ' ASP . 5.1 tt -66.53 -34.81 78.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.84 -179.828 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.034 HG21 HD13 ' A' ' 184' ' ' LEU . 10.1 mm -68.64 -50.68 53.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.078 179.798 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 t -62.86 -37.87 88.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.949 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -66.16 -55.46 16.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.472 HG22 HD11 ' A' ' 41' ' ' ILE . 7.6 p -60.78 -32.57 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 179.965 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.63 ' O ' HG23 ' A' ' 42' ' ' VAL . 7.6 mt -66.6 -48.44 69.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -63.82 -40.11 95.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -64.09 -45.07 90.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.609 HG12 HD21 ' A' ' 121' ' ' LEU . 48.4 mt -62.37 -44.66 99.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.058 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 38' ' ' LEU . 86.4 t -60.62 -50.09 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -66.09 -40.93 91.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.438 ' O ' HD13 ' A' ' 48' ' ' LEU . 4.1 ttp -66.76 -32.23 73.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.816 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -72.75 -50.63 23.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -70.18 -28.89 65.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.22 -38.82 68.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.98 179.911 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.524 HD12 ' HE3' ' A' ' 114' ' ' LYS . 8.8 mp -54.62 -28.59 47.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.76 34.79 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 60.8 28.33 18.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.8 40.97 97.74 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -98.04 105.82 18.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 64.7 p -54.02 -33.46 57.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 -179.901 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -30.97 69.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.41 -32.85 74.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.0 mtp -69.25 -36.8 77.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -111.43 30.01 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.19 -63.86 1.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.84 23.6 13.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -76.07 -26.74 56.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.74 -25.6 55.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.3 pp -115.59 -41.07 3.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.45 -29.03 65.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 179.761 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -62.39 -26.32 68.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.945 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -123.74 30.6 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -133.81 27.04 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.619 HD23 HD21 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -104.28 127.55 51.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.997 179.868 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.69 -33.34 41.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.9 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.619 HD21 HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -63.98 156.44 73.85 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.582 0.706 . . . . 0.0 110.904 179.9 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 120.59 7.35 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.251 . . . . 0.0 112.323 179.877 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.76 121.04 8.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.635 HD11 HD11 ' A' ' 89' ' ' LEU . 6.4 mt -51.71 143.13 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.921 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.23 121.95 5.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 62.32 69.52 0.61 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.855 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -135.95 126.03 26.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 -179.927 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -84.44 173.99 10.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.877 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.01 -176.79 31.63 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.511 -179.881 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 33.8 m -95.22 -62.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.858 -179.848 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 62.05 -174.72 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.975 -179.925 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -109.11 131.69 54.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.83 -66.19 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.885 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.23 -128.22 0.99 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.555 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -115.84 114.02 24.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.41 43.61 13.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.96 29.67 6.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.814 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -160.52 162.96 33.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -152.66 133.08 4.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.183 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 36.8 m -139.61 115.35 10.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.635 HD11 HD11 ' A' ' 72' ' ' ILE . 2.3 mm? 59.81 179.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.2 tp -147.3 -52.31 0.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.871 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -95.52 -76.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.857 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.564 HD11 ' CB ' ' A' ' 89' ' ' LEU . 7.7 mt 72.72 -62.28 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.132 179.871 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -50.36 -49.21 54.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.9 m -54.04 -52.57 60.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.44 -46.73 93.75 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 mp -55.89 -44.96 78.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.903 0.383 . . . . 0.0 110.968 -179.94 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.701 HD11 HD22 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.62 -49.34 75.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.915 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.29 -54.15 47.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.528 ' HB3' HD13 ' A' ' 176' ' ' LEU . 26.0 m-85 -55.8 -47.04 77.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.943 -179.894 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.487 ' HA ' HD21 ' A' ' 103' ' ' LEU . 36.7 t-80 -55.44 -42.78 74.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -31.19 68.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.834 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.781 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.6 m-85 -70.53 -53.39 16.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.487 HD21 ' HA ' ' A' ' 100' ' ' HIS . 1.4 pp -63.17 -44.97 93.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.442 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.1 pp20? -65.6 -31.75 72.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.876 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.752 ' CE1' HG22 ' A' ' 154' ' ' THR . 18.2 t80 -68.78 -52.36 31.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 -179.871 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.666 ' CE ' HD11 ' A' ' 110' ' ' LEU . 18.4 ptm -72.33 -25.89 61.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.804 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -36.69 78.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -38.08 81.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -118.11 92.41 3.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.668 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.1 mt -149.02 178.05 9.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.83 -176.0 3.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.85 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.03 -51.29 67.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.819 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -72.36 -46.87 53.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.911 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.668 ' CB ' HD22 ' A' ' 110' ' ' LEU . 20.7 mmtm -55.71 -38.27 69.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -48.33 64.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 179.914 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.0 -48.22 70.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.847 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -72.38 -37.93 68.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.78 -45.79 74.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.811 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -55.75 -45.79 77.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.7 t -66.41 -33.16 61.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.609 HD21 HG12 ' A' ' 41' ' ' ILE . 1.2 tp -66.57 -51.08 60.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.968 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -63.86 -41.15 97.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -60.99 -53.32 58.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.831 -179.94 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.727 ' O ' HD21 ' A' ' 33' ' ' LEU . 13.6 m-20 -56.76 -54.96 40.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.9 m -54.53 -47.16 73.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.926 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -54.45 -47.56 72.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.456 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.7 OUTLIER -63.37 -45.26 92.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.213 -179.979 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.622 ' O ' HD12 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -63.65 -35.21 79.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.912 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 74.7 mt -71.27 -39.75 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -46.53 78.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.883 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 127' ' ' THR . 8.8 mt -64.28 -49.17 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.96 -47.73 85.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.782 -179.925 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -59.49 -41.02 88.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -63.19 -48.77 76.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.433 ' O ' HD23 ' A' ' 139' ' ' LEU . 6.5 mt-10 -57.51 -52.48 65.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.96 -30.22 49.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.24 179.857 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -69.2 -36.3 77.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.891 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -88.09 -20.38 25.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 135' ' ' GLU . 2.5 mm? -82.26 -58.1 3.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.75 31.37 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.844 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 40.5 mttm 59.97 177.8 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.7 tp -175.95 143.58 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.197 179.933 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.5 m -139.54 173.99 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.223 179.826 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.701 HD22 HD11 ' A' ' 97' ' ' LEU . 0.8 OUTLIER -146.2 155.24 50.62 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 121.572 0.701 . . . . 0.0 110.934 179.998 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -87.15 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 179.846 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 177.7 147.06 0.32 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.56 0.695 . . . . 0.0 111.145 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 117.59 5.18 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.662 2.242 . . . . 0.0 112.332 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.9 tt -128.55 -38.32 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.7 m -51.97 -44.37 63.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 150' ' ' ASN . . . . . 0.532 ' O ' HG23 ' A' ' 154' ' ' THR . 23.0 t30 -50.99 -43.78 60.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -59.58 -54.49 45.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 11.1 mp -51.54 -55.51 18.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.472 HD11 HG21 ' A' ' 168' ' ' THR . 3.5 mm? -52.64 -62.79 1.42 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.886 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.752 HG22 ' CE1' ' A' ' 105' ' ' TYR . 65.4 p -51.34 -32.91 27.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.878 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -37.63 82.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.25 170.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 61.52 48.68 5.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.912 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.03 154.28 31.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.874 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.17 166.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.816 -179.785 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -64.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -154.51 102.68 2.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -59.58 -26.54 65.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 1.8 t90 63.05 82.39 0.18 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 63.32 161.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.93 -27.77 33.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 166' ' ' THR . . . . . 0.458 HG23 HD23 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -52.43 -27.22 15.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 -179.959 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -70.12 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.949 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 168' ' ' THR . . . . . 0.472 HG21 HD11 ' A' ' 153' ' ' LEU . 94.2 m -49.12 -44.19 42.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.083 -179.929 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.71 -46.06 97.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -59.73 -35.87 75.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.01 -55.37 11.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.781 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.9 pt -61.63 -35.76 69.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 14.9 mt -66.56 -50.75 62.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -58.71 -47.71 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.433 ' CB ' HD11 ' A' ' 69' ' ' LEU . 53.1 m -59.49 -46.21 89.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.938 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.528 HD13 ' HB3' ' A' ' 99' ' ' TYR . 14.7 tp -56.42 -54.16 48.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.73 -54.96 30.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.952 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.582 ' O ' HG23 ' A' ' 182' ' ' VAL . 8.6 mt-10 -56.75 -43.99 81.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.905 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -60.71 -34.46 74.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 17.4 mt -69.29 -59.86 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.992 179.932 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -51.29 -41.53 60.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.816 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.626 HG11 HG21 ' A' ' 72' ' ' ILE . 78.6 t -66.3 -50.08 70.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 56.1 m -51.13 -45.91 61.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 1.034 HD13 HG21 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -67.91 -45.92 73.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.845 179.964 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -57.57 -28.38 63.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.6 -50.78 8.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.816 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.59 HG22 ' HA ' ' A' ' 184' ' ' LEU . 7.3 t -66.49 -16.0 63.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -179.921 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.63 100.64 7.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 -179.933 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -60.03 -21.13 60.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 36.8 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.164 -179.911 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.854 0.359 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -143.7 101.45 3.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.5 t -146.1 145.88 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.09 -179.957 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.73 119.11 37.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.96 -179.69 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.8 49.72 0.62 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 -179.942 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.04 132.86 51.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 110.835 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -124.23 172.18 9.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.2 t -116.98 -32.74 4.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -179.932 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -128.93 166.76 18.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 -179.929 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -153.93 38.54 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 p 53.09 -174.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.909 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.04 159.63 29.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.633 0.73 . . . . 0.0 111.086 -179.924 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 177.25 5.78 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.757 2.305 . . . . 0.0 112.298 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -153.83 52.16 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.787 179.997 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 61.68 160.81 0.11 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.566 0.698 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.72 79.36 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.738 2.292 . . . . 0.0 112.315 -179.98 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.446 ' HB ' HG22 ' A' ' 26' ' ' THR . 35.7 t -88.14 -15.94 9.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.911 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 63.7 22.95 13.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.965 -179.865 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.547 HG23 ' H ' ' A' ' 29' ' ' GLN . 4.4 t -87.59 159.29 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -51.5 -47.77 63.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.3 -51.45 54.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.802 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.547 ' H ' HG23 ' A' ' 26' ' ' THR . 0.5 OUTLIER -59.75 -38.16 81.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 -179.963 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.73 -54.26 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.688 ' O ' HG23 ' A' ' 35' ' ' THR . . . -57.06 -52.86 48.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.525 179.917 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.77 -41.51 93.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.539 -179.898 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.678 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.0 OUTLIER -62.67 -46.7 86.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 110.835 -179.908 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.596 ' N ' HD23 ' A' ' 33' ' ' LEU . 27.2 mm -57.67 -41.96 80.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 31' ' ' GLY . 19.9 p -65.83 -42.21 90.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -59.32 -55.68 31.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.794 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.462 HG22 ' CD1' ' A' ' 41' ' ' ILE . 5.9 p -60.06 -39.56 80.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.5 mp -56.63 -48.97 76.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -67.92 -37.07 81.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -43.5 95.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.775 HG23 HD12 ' A' ' 173' ' ' LEU . 70.2 mt -66.39 -46.67 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.168 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 38' ' ' LEU . 95.4 t -59.41 -43.02 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.835 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.86 -43.31 65.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.3 ttt -65.42 -31.55 72.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.08 -51.11 12.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -67.75 -28.74 67.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.96 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.82 -34.19 65.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.431 HD23 ' HE2' ' A' ' 114' ' ' LYS . 27.2 mt -55.94 -33.77 65.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.6 m -96.54 32.43 2.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 56.45 32.16 20.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.801 179.987 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.45 38.44 96.32 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.394 179.94 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -90.08 113.84 25.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.3 m -58.78 -26.78 64.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -66.46 -36.2 82.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -33.94 77.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 19.2 mtp -61.04 -31.26 70.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.761 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -116.23 26.71 9.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -91.65 -62.0 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.915 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.15 26.31 10.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.869 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -97.83 27.67 4.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.91 -27.92 7.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.09 -32.64 7.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.91 -43.15 66.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -63.28 -26.12 68.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -108.1 26.51 10.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -142.64 26.23 1.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -104.81 155.13 19.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 179.852 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.39 17.42 2.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 179.834 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.526 HD23 ' HE1' ' A' ' 99' ' ' TYR . 8.8 mp -84.03 160.32 58.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.553 0.692 . . . . 0.0 110.959 179.931 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.62 85.69 0.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.397 179.851 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -111.89 160.93 16.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.455 HD12 HG12 ' A' ' 182' ' ' VAL . 50.1 mt -79.3 109.18 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -119.19 39.37 3.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.979 179.91 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -127.67 174.14 9.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -128.98 -69.74 0.69 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -169.34 -173.87 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.803 179.842 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.47 114.12 2.8 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.451 -179.944 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.3 t -173.68 38.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -164.78 -66.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.869 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -74.78 -51.89 12.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.9 m -75.12 -30.94 60.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 -179.874 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.22 116.91 10.04 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -135.78 -51.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -179.726 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -74.49 -33.42 62.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -153.09 161.52 42.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -154.87 79.61 1.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 73.0 mt -111.31 -70.5 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.225 179.92 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.9 m 52.54 77.14 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.8 105.2 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.405 HD23 HG12 ' A' ' 72' ' ' ILE . 9.5 mp -88.31 171.17 10.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.831 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.35 -73.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.834 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.492 HG23 ' HZ ' ' A' ' 179' ' ' PHE . 7.8 mt 73.62 -60.19 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 179.868 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 p -49.8 -44.06 48.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 99.8 p -60.53 -52.61 64.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.7 -51.5 58.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.429 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.415 HD23 HG12 ' A' ' 129' ' ' ILE . 0.8 OUTLIER -52.5 -48.89 65.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 -179.817 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -58.1 -49.43 76.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -53.34 -49.81 66.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.526 ' HE1' HD23 ' A' ' 69' ' ' LEU . 12.4 m-85 -57.55 -48.33 79.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.851 -179.758 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.515 ' HA ' HD21 ' A' ' 103' ' ' LEU . 31.6 t-80 -54.23 -42.18 69.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.87 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.84 -32.4 69.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.846 -179.753 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.571 ' HB3' HD12 ' A' ' 172' ' ' ILE . 20.5 m-85 -70.58 -51.48 28.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.82 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.675 HD21 HG21 ' A' ' 125' ' ' THR . 1.7 pp -64.86 -45.34 86.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.49 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.1 pp20? -64.78 -32.07 73.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.708 ' CE1' HG22 ' A' ' 154' ' ' THR . 2.6 t80 -70.52 -46.89 62.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.827 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.87 ' HE2' HD11 ' A' ' 110' ' ' LEU . 6.6 ttt -72.4 -29.81 64.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.803 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -61.96 -33.76 74.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -30.88 69.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -132.58 95.23 3.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.87 HD11 ' HE2' ' A' ' 106' ' ' MET . 5.8 mt -149.05 178.01 9.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -75.11 -176.01 2.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.993 179.778 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.18 -51.28 67.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 179.865 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -73.7 -45.98 49.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.602 ' CB ' HD22 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -55.62 -37.61 68.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.917 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -51.78 40.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.908 179.835 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.07 -47.29 65.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.4 -37.97 68.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.11 -43.77 74.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -55.58 -50.2 70.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.55 -45.25 97.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.951 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -50.92 67.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.465 ' HA ' HD13 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -64.97 -28.94 69.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.837 179.974 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 58.2 ttm-85 -64.17 -54.64 30.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -64.84 -39.63 93.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.675 HG21 HD21 ' A' ' 103' ' ' LEU . 30.3 m -58.08 -48.88 78.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 -179.883 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -64.83 -40.0 94.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.2 m -63.67 -53.23 54.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -179.883 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.678 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -62.57 -33.71 75.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.894 179.984 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.415 HG12 HD23 ' A' ' 96' ' ' LEU . 20.6 mt -69.44 -37.12 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 179.774 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -70.94 -40.96 71.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.775 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 59.0 mt -66.32 -50.49 67.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -63.84 -50.1 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -58.83 -39.89 82.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -63.21 -50.67 69.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.09 -52.18 66.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.4 p -65.51 -27.78 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.189 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -42.76 76.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -73.73 -38.6 64.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.842 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.45 -57.96 3.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -128.15 -169.2 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 179.894 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -93.41 -178.71 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.479 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.64 146.45 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.83 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.479 ' N ' HD13 ' A' ' 142' ' ' ILE . 6.2 m -138.65 122.19 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.91 86.31 0.29 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.556 0.693 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.93 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 179.917 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 178.5 148.52 0.39 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.549 0.69 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.63 -174.96 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.773 2.315 . . . . 0.0 112.354 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 14.2 tt -124.29 -34.87 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.221 179.838 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -30.08 20.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -51.08 -49.99 59.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.33 -46.57 69.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 15.6 mt -59.38 -47.53 85.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.407 HD23 ' CD2' ' A' ' 105' ' ' TYR . 0.9 OUTLIER -56.22 -63.22 1.26 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.845 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.708 HG22 ' CE1' ' A' ' 105' ' ' TYR . 72.7 p -56.32 -32.97 65.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -63.94 -32.19 73.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.895 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -53.44 140.07 28.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 14.0 tp -170.84 122.54 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.43 -176.92 5.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 179.918 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.4 m -128.62 37.91 4.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.897 -179.824 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -170.33 35.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -179.937 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -108.11 103.58 12.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.2 -57.29 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 163' ' ' TRP . . . . . 0.479 ' O ' HD22 ' A' ' 164' ' ' LEU . 0.0 OUTLIER -100.88 38.17 1.59 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.945 -179.962 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.479 HD22 ' O ' ' A' ' 163' ' ' TRP . 3.6 mm? -127.85 -45.67 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -28.52 68.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 179.933 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.5 -26.9 5.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.127 -179.866 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -68.85 -69.01 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.848 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 94.9 m -48.49 -46.58 38.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.134 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 36.9 mm -60.4 -46.47 95.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -62.93 -30.09 71.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -70.47 -53.14 17.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 -179.904 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.571 HD12 ' HB3' ' A' ' 102' ' ' TYR . 23.2 pt -63.12 -37.99 80.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.202 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.775 HD12 HG23 ' A' ' 41' ' ' ILE . 3.3 mm? -69.92 -57.88 4.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.869 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -31.16 65.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.007 179.809 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 88.5 p -73.34 -46.89 46.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.799 -179.832 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.8 tp -58.69 -47.43 84.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.533 ' HB2' HG21 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -65.5 -52.8 50.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.902 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.428 ' O ' HG23 ' A' ' 182' ' ' VAL . 33.6 mm-40 -54.91 -50.08 69.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.492 ' HZ ' HG23 ' A' ' 92' ' ' ILE . 65.8 t80 -68.02 -29.26 68.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.58 ' HB3' HD11 ' A' ' 38' ' ' LEU . 6.0 mt -63.27 -61.18 2.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 181' ' ' LYS . . . . . 0.408 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -61.4 -40.94 96.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.79 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.455 HG12 HD12 ' A' ' 72' ' ' ILE . 39.6 t -63.14 -43.5 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.864 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 31.6 m -65.84 -41.7 91.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 -179.979 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.534 ' O ' HD13 ' A' ' 184' ' ' LEU . 2.0 tm? -63.58 -44.86 92.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -66.87 -39.03 87.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.823 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.53 -51.85 65.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.077 0.465 . . . . 0.0 110.899 -179.832 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 15.2 t -65.73 -24.96 67.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.2 -179.925 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -82.64 117.01 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.34 16.53 21.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.859 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.149 -179.951 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -116.37 94.44 4.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 p -93.23 147.45 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -110.68 93.63 4.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -119.44 171.73 8.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.06 -34.77 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.501 -179.957 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.37 147.47 7.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 0.0 110.847 179.935 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.17 167.66 21.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.899 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.7 t -119.74 -41.28 2.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 -179.935 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 43.86 -163.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -169.69 75.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 p 52.88 -173.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.098 -179.9 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.25 159.54 31.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.559 0.695 . . . . 0.0 111.258 179.979 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -170.97 0.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.739 2.293 . . . . 0.0 112.375 179.925 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -112.63 -25.66 9.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -158.15 153.67 22.45 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.573 0.701 . . . . 0.0 110.805 -179.907 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.64 111.66 2.84 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.701 2.267 . . . . 0.0 112.344 179.899 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.431 ' HB ' HG22 ' A' ' 26' ' ' THR . 58.7 t -93.21 -21.69 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.826 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 63.11 16.93 9.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.565 ' O ' HG23 ' A' ' 30' ' ' VAL . 9.6 t -91.45 168.85 11.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -50.5 -45.12 56.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.72 -51.36 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.838 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -61.61 -35.04 76.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 26' ' ' THR . 98.5 t -63.97 -54.16 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.72 ' O ' HG23 ' A' ' 35' ' ' THR . . . -60.2 -51.94 55.75 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.949 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.5 -40.15 95.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.378 -179.898 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.691 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.4 OUTLIER -64.49 -45.15 88.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.744 0.307 . . . . 0.0 110.901 -179.902 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.612 ' CD1' HD23 ' A' ' 184' ' ' LEU . 96.8 mt -61.58 -40.95 88.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.032 179.91 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.72 HG23 ' O ' ' A' ' 31' ' ' GLY . 34.7 p -64.78 -45.18 87.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.188 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -60.84 -55.37 33.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.647 HG22 HD11 ' A' ' 41' ' ' ILE . 14.7 p -59.63 -35.54 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 42' ' ' VAL . 10.6 mt -62.06 -48.5 79.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -63.19 -43.15 99.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.39 -42.87 96.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.647 HD11 HG22 ' A' ' 37' ' ' VAL . 22.9 mt -63.98 -46.77 93.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 179.886 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 38' ' ' LEU . 85.9 t -57.34 -47.56 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.839 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.52 -40.54 95.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.409 ' SD ' HD22 ' A' ' 121' ' ' LEU . 13.1 ttt -67.56 -35.18 78.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.959 179.891 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.63 -51.15 45.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.3 -28.7 66.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.869 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -53.88 -37.3 63.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.8 mp -54.55 -37.05 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 54.1 m -95.25 38.13 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t30 56.18 29.85 15.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 59.3 40.97 96.61 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -100.9 115.06 29.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.804 0.335 . . . . 0.0 110.829 -179.848 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.1 p -54.45 -28.71 46.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -26.67 55.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.799 -179.98 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.02 -26.94 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.816 -179.841 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.5 mmm -72.46 -31.03 65.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -112.48 30.54 7.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -96.21 -74.16 0.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.96 28.7 4.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -99.15 26.35 5.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.78 -30.86 4.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 -179.994 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.76 -32.96 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.968 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.79 -37.36 71.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.012 179.818 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -54.55 -29.19 50.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.801 -179.874 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -117.37 36.47 4.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -152.34 28.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.19 134.19 44.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.4 -26.78 26.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.828 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.21 160.63 47.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.647 0.737 . . . . 0.0 110.883 179.886 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 124.47 11.14 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.856 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -127.4 149.75 49.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.483 HD11 HG13 ' A' ' 182' ' ' VAL . 18.2 pt -119.77 146.9 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.182 179.955 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -132.4 -178.03 4.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -63.89 135.28 56.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -118.49 125.21 49.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -99.22 39.07 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.796 -179.996 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.99 127.82 5.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -47.0 77.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.84 0.352 . . . . 0.0 110.865 -179.854 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -133.45 -66.23 0.66 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -170.73 160.78 7.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.8 m -76.31 130.23 37.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 -179.892 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.46 152.12 12.41 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.971 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.8 t80 62.53 67.36 0.72 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.6 148.01 47.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -168.21 -41.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -101.76 127.08 48.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 39.3 pt -91.53 166.29 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.9 m -102.81 136.33 42.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.819 179.864 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -103.95 -54.23 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.6 mt 61.84 -175.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.99 93.06 1.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.9 mt -113.79 -26.9 2.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.191 179.808 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 p -71.06 -46.59 61.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.78 -52.46 60.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.812 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.0 -47.62 88.82 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.514 179.958 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 mp -57.43 -50.99 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.955 -179.89 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.078 HD22 HD21 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -57.17 -49.24 76.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.828 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -49.97 70.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -55.64 -51.7 66.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.497 ' HA ' HD21 ' A' ' 103' ' ' LEU . 59.6 t-80 -54.28 -44.52 71.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.3 p -63.48 -37.65 88.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.414 ' HD1' HD22 ' A' ' 153' ' ' LEU . 18.6 m-85 -66.0 -64.3 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.927 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.497 HD21 ' HA ' ' A' ' 100' ' ' HIS . 1.1 pp -51.0 -47.17 61.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.456 ' N ' HD12 ' A' ' 103' ' ' LEU . 29.6 tt0 -57.54 -51.15 70.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.9 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.691 ' CD2' HD23 ' A' ' 153' ' ' LEU . 2.2 t80 -57.5 -34.91 69.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.964 -179.868 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.48 ' HG2' HD11 ' A' ' 110' ' ' LEU . 1.3 ttt -74.37 -41.94 60.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.831 179.942 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.532 ' HB2' ' HB1' ' A' ' 118' ' ' ALA . 6.4 tptm -64.64 -25.82 68.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -20.57 56.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -154.71 79.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.969 179.961 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 114' ' ' LYS . 5.0 mt -127.65 178.17 6.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -68.91 -175.93 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.834 179.897 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -64.07 -51.15 65.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.781 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -75.54 -46.34 32.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.631 ' HB3' HD13 ' A' ' 110' ' ' LEU . 20.1 mmtm -55.81 -29.15 59.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.844 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -69.89 -45.42 67.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.844 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.583 ' O ' HG23 ' A' ' 120' ' ' VAL . 0.1 OUTLIER -66.86 -36.6 82.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.957 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.68 -48.19 23.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 179.955 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.532 ' HB1' ' HB2' ' A' ' 107' ' ' LYS . . . -58.24 -48.55 80.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.797 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -53.69 -50.17 66.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 116' ' ' ASP . 95.8 t -59.33 -44.74 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 -179.958 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.409 HD22 ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -58.3 -43.91 88.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.965 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.453 ' HA ' HD13 ' A' ' 103' ' ' LEU . 1.5 tt0 -61.17 -50.02 74.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -52.82 59.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.3 -50.34 69.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.599 ' HA ' HD23 ' A' ' 128' ' ' LEU . 7.5 m -56.55 -50.43 71.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.932 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -54.79 -38.87 67.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.441 ' HB ' HD11 ' A' ' 33' ' ' LEU . 2.5 m -64.76 -54.41 31.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 -179.902 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.691 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -59.87 -31.22 69.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.887 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 74.6 mt -72.99 -40.21 58.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.073 179.906 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -65.54 -45.49 83.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.6 mt -66.94 -45.95 86.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.537 ' O ' HG23 ' A' ' 136' ' ' VAL . 4.8 m-85 -65.62 -44.87 85.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.976 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -61.56 -42.82 99.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.773 -179.878 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.39 -54.37 37.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -55.46 -52.18 64.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 132' ' ' PHE . 91.9 t -61.05 -47.42 93.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -51.79 -46.16 64.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.93 179.895 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.68 -23.82 49.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 179.926 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.5 tp -71.22 -57.91 4.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.22 31.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 179.917 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 15.4 mttt 63.31 170.22 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.444 HD12 ' H ' ' A' ' 143' ' ' VAL . 6.1 tp -177.25 141.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.174 179.835 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.444 ' H ' HD12 ' A' ' 142' ' ' ILE . 6.4 m -152.8 178.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.878 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 1.078 HD21 HD22 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -148.79 155.28 41.12 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.63 0.729 . . . . 0.0 110.937 179.95 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.414 ' N ' HD12 ' A' ' 144' ' ' LEU . 53.4 Cg_endo -69.76 -87.05 0.0 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.766 2.311 . . . . 0.0 112.318 179.894 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 177.95 148.05 0.35 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.53 0.681 . . . . 0.0 111.167 -179.898 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 163.53 37.9 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.756 2.304 . . . . 0.0 112.337 179.904 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.4 tt -131.05 -39.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -29.3 58.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -51.5 -48.9 62.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.74 -50.63 65.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.794 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 11.0 mp -56.51 -47.52 79.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.691 HD23 ' CD2' ' A' ' 105' ' ' TYR . 0.5 OUTLIER -55.74 -63.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.896 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 36.7 p -55.59 -33.01 63.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -72.07 -26.4 62.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.788 179.991 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.48 162.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 157' ' ' LEU . 1.1 tt -111.36 58.64 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.861 179.919 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 69.33 -75.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.27 -179.97 1.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.84 -179.814 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -157.34 169.86 23.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.5 -62.67 1.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -83.0 177.84 8.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.795 179.982 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 5.1 p90 -66.54 151.48 47.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -178.55 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -27.85 69.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.774 -179.951 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.9 -26.41 5.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -179.86 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -69.44 -69.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.95 179.76 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 168' ' ' THR . . . . . 0.682 HG21 HD11 ' A' ' 153' ' ' LEU . 96.7 m -48.59 -44.82 37.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.162 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.3 mm -63.03 -46.32 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -62.77 -32.06 73.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 179.924 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -55.16 10.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.945 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 20.3 pt -60.23 -36.02 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.34 -53.47 29.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.95 179.882 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -57.68 -46.27 84.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 179.813 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.75 -48.77 80.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.866 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 21.5 tp -54.74 -57.68 10.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -52.18 -54.4 31.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.918 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.45 -32.62 67.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -72.66 -32.26 65.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.48 HD23 HG13 ' A' ' 37' ' ' VAL . 1.8 mp -72.71 -52.42 15.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -44.19 97.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.831 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.483 HG13 HD11 ' A' ' 72' ' ' ILE . 7.2 p -66.28 -36.76 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.064 179.964 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 16.0 m -72.13 -29.58 64.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.612 HD23 ' CD1' ' A' ' 34' ' ' ILE . 2.7 tm? -76.04 -40.33 53.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.0 179.905 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -25.25 42.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 17.3 m -81.98 -48.58 11.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 190' ' ' THR . 14.6 t -56.56 -24.78 49.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -179.958 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -59.29 -176.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.35 16.83 9.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.853 -179.945 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 187' ' ' THR . 21.6 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 -179.934 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.754 0.312 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 57.36 86.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.868 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 p -112.85 144.5 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.064 179.979 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -117.38 140.42 49.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -122.27 168.84 11.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -149.73 -42.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.43 -179.979 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 t70 56.49 -179.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.942 0.401 . . . . 0.0 110.819 -179.965 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -121.98 172.58 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 t -72.08 -36.48 69.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -67.28 -169.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.99 20.93 5.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 t 178.86 146.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 -179.917 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.34 159.65 54.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.561 0.696 . . . . 0.0 111.149 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.68 -170.39 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.666 2.244 . . . . 0.0 112.433 179.9 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.1 -49.8 3.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 50.6 75.21 0.68 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.532 0.682 . . . . 0.0 110.821 179.953 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 82.13 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 179.967 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.541 ' HB ' HG22 ' A' ' 26' ' ' THR . 21.8 t -87.77 -12.55 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.943 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 59.48 24.64 13.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.59 ' O ' HG23 ' A' ' 30' ' ' VAL . 15.2 t -109.73 172.77 6.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 179.944 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.1 p -50.84 -43.86 59.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.01 -51.76 68.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.806 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -61.9 -40.81 96.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 26' ' ' THR . 96.4 t -62.29 -54.29 36.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.049 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.719 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.09 -52.18 50.9 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.4 -43.54 95.71 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.885 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.452 HD11 ' HB ' ' A' ' 127' ' ' THR . 1.3 tt -63.82 -49.41 72.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.342 . . . . 0.0 110.985 -179.938 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.546 ' O ' HD23 ' A' ' 38' ' ' LEU . 19.4 mm -54.14 -44.29 63.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.157 179.778 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 31' ' ' GLY . 31.7 p -64.88 -43.09 94.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.241 179.912 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -58.56 -55.5 34.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.917 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.732 HG22 HD11 ' A' ' 41' ' ' ILE . 7.5 p -60.67 -36.7 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.11 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.1 mm? -59.14 -48.25 82.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.2 t90 -66.03 -41.23 91.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -62.02 -41.52 98.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.732 HD11 HG22 ' A' ' 37' ' ' VAL . 30.3 mt -66.56 -48.84 79.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 38' ' ' LEU . 89.9 t -56.89 -46.66 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.902 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -42.31 86.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -31.8 72.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.13 -51.17 18.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.946 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.428 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -69.29 -28.88 66.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.976 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -59.01 -34.82 72.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.0 mt -55.06 -30.88 60.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.0 m -98.72 30.25 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 63.25 31.53 15.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.83 43.43 91.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 179.93 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -97.05 108.8 21.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 95.4 p -58.55 -26.3 63.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.55 -32.75 72.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 179.837 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.7 -27.91 66.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.0 mtp -59.31 -35.39 73.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -122.93 27.48 7.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -89.09 -51.58 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.49 23.71 13.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.922 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -99.24 25.85 6.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.51 -41.71 5.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.953 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.2 -32.1 14.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.23 -31.58 32.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.742 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -53.44 -30.3 39.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.962 -179.949 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -121.5 25.98 9.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -145.5 26.93 1.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.761 HD11 ' HE3' ' A' ' 174' ' ' LYS . 0.4 OUTLIER -101.91 -61.11 1.43 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.963 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 58.63 21.9 9.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 179.832 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.642 HD12 ' CD2' ' A' ' 67' ' ' LEU . 24.6 mt -84.15 158.45 61.25 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.622 0.725 . . . . 0.0 110.932 179.92 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.65 78.68 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.657 2.238 . . . . 0.0 112.421 179.792 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -123.96 150.85 44.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.574 HG22 ' H ' ' A' ' 74' ' ' ARG . 3.4 mt -62.72 141.12 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -132.36 31.17 4.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.574 ' H ' HG22 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -172.28 -175.6 1.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.9 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -145.15 65.43 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.04 176.82 9.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.811 179.942 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -103.87 -70.13 0.81 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 -179.923 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.3 m 61.04 93.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.33 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -160.26 33.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -151.6 163.77 38.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -65.77 171.04 4.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.02 134.61 13.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.494 179.955 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -121.93 -63.78 1.27 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.951 0.405 . . . . 0.0 110.936 -179.904 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -115.0 42.96 2.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 57.16 73.4 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -74.25 167.64 21.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.946 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -138.7 132.69 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.152 179.894 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.49 140.32 50.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.1 mp -113.36 45.23 1.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.464 HD23 HD11 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -122.04 98.13 5.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.875 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -80.15 -71.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.82 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.464 HD11 HD23 ' A' ' 90' ' ' LEU . 12.2 mt 70.98 -69.04 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.413 ' O ' HD23 ' A' ' 97' ' ' LEU . 7.2 t -50.92 -46.44 60.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.04 -52.57 64.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.857 -179.809 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.04 -51.2 60.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.442 -179.937 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.764 HD12 HD11 ' A' ' 129' ' ' ILE . 2.9 mm? -54.13 -50.98 65.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.897 0.38 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.679 HD12 ' HD3' ' A' ' 147' ' ' PRO . 2.7 mm? -55.33 -49.54 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.95 179.822 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -56.84 17.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.684 ' HB3' HD13 ' A' ' 176' ' ' LEU . 24.7 m-85 -53.98 -42.91 69.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.804 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.406 ' HA ' HD21 ' A' ' 103' ' ' LEU . 43.8 t-80 -58.26 -47.87 82.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.4 p -63.35 -34.81 78.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.468 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.7 m-85 -65.94 -64.65 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' A' ' 100' ' ' HIS . 1.3 pp -52.27 -40.25 61.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -62.08 -49.02 77.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.773 ' CE1' HG22 ' A' ' 154' ' ' THR . 7.5 t80 -57.41 -45.02 85.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 -179.822 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.438 ' HG2' HD11 ' A' ' 110' ' ' LEU . 33.8 ttp -72.33 -26.21 61.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.922 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -29.81 64.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.922 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -59.6 -23.91 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -144.29 95.88 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.688 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.1 mt -149.06 177.54 9.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -72.14 -176.13 1.69 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.99 -51.23 65.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.831 179.918 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -70.62 -47.81 58.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.822 -179.882 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.688 ' CB ' HD22 ' A' ' 110' ' ' LEU . 1.3 mmmp? -55.68 -39.57 71.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -67.58 -43.64 80.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.91 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -57.69 -49.36 76.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -71.32 -40.65 70.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.63 -44.36 73.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 179.827 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.19 -49.58 73.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.47 ' HA ' ' CG ' ' A' ' 123' ' ' ARG . 70.6 t -63.36 -32.36 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.607 HD21 HG12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -68.67 -43.81 75.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.963 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -66.13 -53.64 35.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.47 ' CG ' ' HA ' ' A' ' 120' ' ' VAL . 0.8 OUTLIER -57.35 -45.45 84.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.934 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -58.63 -51.11 71.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.678 HG22 ' CD1' ' A' ' 129' ' ' ILE . 24.4 m -57.93 -45.95 85.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -61.22 -36.64 80.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.476 ' O ' HD12 ' A' ' 131' ' ' ILE . 22.4 m -65.95 -56.18 13.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.08 -32.02 70.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.764 HD11 HD12 ' A' ' 96' ' ' LEU . 64.1 mt -72.59 -38.2 58.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.83 -41.82 78.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.863 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.476 HD12 ' O ' ' A' ' 127' ' ' THR . 6.3 mt -70.17 -44.15 78.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 -179.947 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.534 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.2 m-85 -67.48 -43.98 79.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.986 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -64.99 -44.05 90.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -62.83 -51.44 67.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.03 -51.98 67.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 132' ' ' PHE . 98.0 t -63.72 -32.65 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -69.2 -35.04 75.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -74.9 -48.89 22.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.5 -58.04 4.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.965 -179.951 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -116.65 -169.82 1.7 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.897 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.09 143.87 34.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.445 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.54 144.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.954 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.445 ' N ' HD13 ' A' ' 142' ' ' ILE . 7.0 m -152.75 172.19 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.079 179.908 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.636 HD23 ' N ' ' A' ' 145' ' ' PRO . 6.2 tt -173.55 135.65 0.67 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.568 0.699 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.636 ' N ' HD23 ' A' ' 144' ' ' LEU . 53.1 Cg_endo -69.78 -84.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.56 2.173 . . . . 0.0 112.371 179.818 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -176.19 159.39 1.79 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.521 0.677 . . . . 0.0 111.137 -179.96 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.679 ' HD3' HD12 ' A' ' 97' ' ' LEU . 53.6 Cg_endo -69.75 148.36 64.94 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.296 179.905 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.9 tt -116.74 -23.32 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.2 m -51.83 -32.55 32.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -51.11 -47.94 61.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.29 -53.07 61.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.022 179.904 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.8 mp -51.91 -54.46 29.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.81 -63.76 1.04 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.875 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.773 HG22 ' CE1' ' A' ' 105' ' ' TYR . 51.6 p -51.34 -32.84 26.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 179.865 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.35 -35.99 68.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 179.862 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -74.69 0.17 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.52 -179.46 4.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.978 179.901 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -164.48 -43.74 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 14.0 p -137.18 -170.14 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.751 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 63.41 105.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -129.17 126.55 39.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -179.3 -48.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -142.19 170.77 15.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 71.58 -69.53 0.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -29.95 22.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.824 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.45 -26.9 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.099 -179.889 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -69.3 -68.82 0.38 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.9 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.3 m -48.34 -44.27 34.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.2 mm -63.49 -45.4 97.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.17 179.921 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -63.33 -30.65 71.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.845 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -71.5 -55.39 7.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.468 HD12 ' HB3' ' A' ' 102' ' ' TYR . 13.3 pt -59.11 -39.25 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.141 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.94 -48.58 65.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 179.837 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.761 ' HE3' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -57.34 -52.11 66.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.872 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.26 -44.06 97.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.783 -179.921 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.684 HD13 ' HB3' ' A' ' 99' ' ' TYR . 16.5 tp -54.38 -51.19 65.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -56.08 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -52.67 -38.93 61.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -64.74 -50.88 65.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 97.8 mt -57.12 -37.11 71.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 181' ' ' LYS . . . . . 0.576 ' HG3' HD11 ' A' ' 38' ' ' LEU . 11.3 mtpp -67.55 -62.27 1.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 179.741 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 13.6 p -54.19 -31.66 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.859 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 76.5 m -71.15 -47.93 54.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.132 -179.94 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.514 ' O ' HD13 ' A' ' 184' ' ' LEU . 1.2 tm? -59.25 -45.69 90.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.983 179.903 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -37.46 74.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.8 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 26.4 t -59.35 -51.47 69.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -179.739 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.0 t -65.04 -25.96 68.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 -179.865 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -79.86 -28.39 39.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.3 16.55 9.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 -179.908 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 40.7 p . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.06 -179.851 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 62.8 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.882 0.372 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -141.47 106.31 4.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.1 t -76.9 130.78 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.954 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.7 140.79 33.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.8 mtt85 -55.46 170.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.816 -179.929 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.02 22.83 0.79 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -58.02 106.69 0.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.967 0.413 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 64.65 150.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.867 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.5 t -130.44 -38.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -153.89 172.8 16.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -151.6 30.47 0.59 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 p 47.22 90.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 -179.903 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.84 159.64 32.86 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.537 0.684 . . . . 0.0 111.139 -179.913 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -171.04 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 179.898 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -108.04 46.49 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.08 74.35 2.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.656 0.741 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.62 129.08 17.11 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.431 179.915 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.817 HG23 HG22 ' A' ' 26' ' ' THR . 4.9 m -114.02 -14.54 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.094 179.989 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 63.81 54.18 1.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.817 HG22 HG23 ' A' ' 24' ' ' VAL . 7.5 t -121.07 165.16 15.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.97 -34.06 19.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 -179.912 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.07 -48.01 63.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.855 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.51 ' H ' HG23 ' A' ' 26' ' ' THR . 0.8 OUTLIER -58.4 -51.41 69.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.868 -179.984 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 31' ' ' GLY . 19.3 m -61.34 -44.04 97.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.435 ' N ' HG23 ' A' ' 30' ' ' VAL . . . -55.98 -52.59 48.0 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.525 179.93 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.31 -38.62 96.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.929 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.687 HD21 ' O ' ' A' ' 124' ' ' ASP . 2.4 tt -66.83 -38.87 87.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.71 0.29 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.56 ' O ' HD23 ' A' ' 38' ' ' LEU . 17.1 mm -64.52 -54.71 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.054 0.454 . . . . 0.0 111.189 179.871 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 31' ' ' GLY . 5.2 t -59.65 -40.58 88.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.969 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -64.86 -55.15 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.86 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -31.75 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.159 179.984 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.639 ' O ' HG23 ' A' ' 42' ' ' VAL . 2.1 mm? -67.95 -48.8 64.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -62.24 -41.35 98.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.011 179.889 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.45 ' HB3' HD11 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -63.29 -50.53 69.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.978 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.7 mt -56.29 -44.86 80.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 38' ' ' LEU . 89.8 t -60.07 -53.2 51.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.833 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -57.93 -48.72 79.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -31.64 72.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.647 ' HA ' HD13 ' A' ' 173' ' ' LEU . 15.9 ttp180 -67.1 -51.35 55.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -72.36 -28.15 62.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.32 -34.72 61.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.464 HD21 HG21 ' A' ' 169' ' ' ILE . 8.3 mp -64.07 -26.38 68.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.2 m -95.91 28.06 3.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 179.988 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 t30 61.99 28.35 17.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.93 35.92 92.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.433 179.972 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -87.41 110.49 20.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.1 -26.65 39.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.861 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -68.85 -46.18 69.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.786 179.998 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.02 -35.72 47.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.7 mtp -54.26 -31.94 54.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -130.98 32.45 4.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -80.48 -60.7 2.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.81 23.4 13.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -83.33 -27.03 30.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.33 -25.36 61.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.77 -39.35 4.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.579 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -58.55 -34.32 70.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.044 179.796 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -54.95 -29.55 56.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -122.11 29.8 6.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -143.32 26.05 1.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -89.35 137.87 31.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.974 179.983 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.47 -25.97 18.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.485 HD23 ' HE1' ' A' ' 99' ' ' TYR . 9.4 mp -64.08 160.63 46.41 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.58 0.705 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 141.38 44.79 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.633 2.222 . . . . 0.0 112.354 179.861 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -148.03 133.97 19.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.0 mt -60.9 139.23 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -123.93 167.47 14.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.35 125.92 24.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -145.63 -179.73 6.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 -179.947 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.39 -64.17 1.23 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.03 -23.78 2.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 35.2 m 55.93 87.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.816 0.341 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -131.94 -179.98 5.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -58.6 117.29 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.909 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.58 -25.25 8.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.118 -179.92 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.98 37.12 4.5 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.972 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -141.86 -48.47 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -151.45 -72.55 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 60.49 90.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 -179.909 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -178.03 134.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 72.1 mt 60.46 93.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 179.973 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -156.24 28.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.848 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.76 143.0 49.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -166.85 29.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 179.82 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -141.37 -170.21 3.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 179.846 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.6 mt 70.86 -70.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.142 179.866 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.2 m -53.28 -49.6 66.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.424 ' HA ' HD13 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -53.91 -52.62 59.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.82 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.67 -47.92 85.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 179.958 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.406 HD23 HG12 ' A' ' 129' ' ' ILE . 4.6 mp -55.03 -46.09 75.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.927 -179.94 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -62.87 -49.4 75.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.995 179.859 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.5 -50.87 72.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.808 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.544 ' HB3' HD13 ' A' ' 176' ' ' LEU . 18.2 m-85 -55.65 -51.91 65.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.844 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.483 ' HA ' HD21 ' A' ' 103' ' ' LEU . 31.1 t-80 -54.21 -44.9 72.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.791 -179.986 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -39.27 92.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.841 -179.759 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.41 ' HB3' HD12 ' A' ' 172' ' ' ILE . 20.0 m-85 -64.35 -63.86 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.935 -179.902 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.516 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.5 pp -51.79 -39.34 58.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.516 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -66.57 -39.35 88.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.796 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -67.08 -43.29 82.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.971 -179.881 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.691 ' HE2' HD11 ' A' ' 110' ' ' LEU . 8.7 ttt -74.61 -29.25 61.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.896 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -31.02 69.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -64.32 -37.0 85.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.58 93.74 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.691 HD11 ' HE2' ' A' ' 106' ' ' MET . 8.6 mt -148.99 170.67 17.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -70.82 -176.25 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.28 -51.07 69.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.36 -45.11 41.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.679 ' HB3' HD22 ' A' ' 110' ' ' LEU . 12.8 mmtm -55.94 -37.08 68.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.881 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -67.57 -49.48 63.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 179.82 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.23 -48.3 74.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.924 179.845 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.5 mmpp? -70.0 -39.92 75.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.94 -45.72 74.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.833 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.6 ttp85 -55.45 -50.08 70.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.05 -41.09 85.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.45 HD11 ' HB3' ' A' ' 40' ' ' GLU . 0.6 OUTLIER -60.61 -46.73 89.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.931 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.97 -50.82 71.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -53.58 50.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.798 -179.894 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.687 ' O ' HD21 ' A' ' 33' ' ' LEU . 34.1 m-20 -54.0 -53.08 57.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.853 179.987 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.456 HG22 ' CD1' ' A' ' 129' ' ' ILE . 8.9 m -53.43 -47.5 69.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.903 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -62.81 -29.88 71.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.503 ' O ' HD12 ' A' ' 131' ' ' ILE . 8.8 m -69.62 -56.62 6.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 -179.852 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.3 pp -60.9 -34.84 75.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.456 ' CD1' HG22 ' A' ' 125' ' ' THR . 73.7 mt -69.35 -45.16 79.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.911 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -60.7 -47.8 84.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.503 HD12 ' O ' ' A' ' 127' ' ' THR . 7.2 mt -62.64 -52.64 57.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 -179.921 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.93 -47.95 83.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.819 -179.975 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -57.64 -41.26 81.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -63.05 -49.56 74.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -57.38 -52.15 66.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.957 -179.942 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.1 p -65.69 -29.21 46.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.906 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.32 -37.79 77.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.51 -47.83 25.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.862 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.6 tt -68.91 -58.29 4.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -117.92 -168.75 1.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.877 179.861 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.9 tttm -131.89 118.53 19.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.6 tp -174.7 127.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.145 179.9 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 4.3 m -153.7 -179.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.186 179.733 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.514 ' HB3' HD13 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -142.24 141.35 21.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.763 0.792 . . . . 0.0 110.849 -179.978 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.524 ' O ' HG23 ' A' ' 146' ' ' THR . 54.1 Cg_endo -69.71 -49.15 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.637 2.225 . . . . 0.0 112.379 179.881 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -179.15 159.34 0.96 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.594 0.711 . . . . 0.0 111.126 179.979 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.519 ' HD2' HG22 ' A' ' 146' ' ' THR . 53.9 Cg_endo -69.75 -172.13 0.54 Allowed 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.727 2.285 . . . . 0.0 112.41 179.97 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.3 tt -129.27 -38.79 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.651 ' O ' HD12 ' A' ' 153' ' ' LEU . 0.7 OUTLIER -68.45 -30.25 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.886 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -50.55 -34.61 26.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -65.97 -46.57 77.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.73 -50.89 70.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.651 HD12 ' O ' ' A' ' 149' ' ' SER . 1.0 OUTLIER -57.87 -58.04 10.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 179.888 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 71.4 p -56.92 -32.84 66.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.969 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -69.42 -39.89 77.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.843 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -52.27 143.15 15.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 7.2 tp -174.24 90.71 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -137.53 164.17 29.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.83 179.881 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 51.8 p -174.43 125.83 0.32 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -173.58 -44.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -164.06 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 179.966 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.71 126.26 36.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.937 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -104.35 -41.24 5.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.17 26.79 16.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -80.58 -27.13 37.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -26.9 12.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 -179.962 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -69.34 -70.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 95.1 m -49.15 -45.45 43.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.464 HG21 HD21 ' A' ' 48' ' ' LEU . 1.7 mp -61.21 -46.52 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.919 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -62.08 -31.46 71.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -70.37 -55.26 9.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.426 HG22 HD21 ' A' ' 69' ' ' LEU . 20.0 pt -59.63 -36.05 63.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.18 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 45' ' ' ARG . 11.8 mt -67.61 -56.15 10.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 179.898 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -60.45 -47.63 85.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 179.812 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 3.0 t -59.1 -45.38 91.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.544 HD13 ' HB3' ' A' ' 99' ' ' TYR . 19.7 tp -58.41 -55.07 39.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.008 179.86 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.533 ' CD ' HG22 ' A' ' 42' ' ' VAL . 7.6 tt0 -52.98 -56.92 12.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.822 179.948 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.563 ' O ' HG23 ' A' ' 182' ' ' VAL . 4.2 mm-40 -55.0 -49.12 72.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.847 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -54.63 -44.98 73.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.68 -48.59 81.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 -179.911 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -55.17 -49.83 70.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 179.814 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 178' ' ' GLU . 39.2 t -58.52 -47.4 88.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.153 179.878 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 27.5 m -56.62 -43.64 80.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.447 ' HG ' HG21 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -62.71 -51.29 67.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.996 179.905 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -61.22 -33.62 73.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 28.4 t -67.1 -51.15 57.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.774 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 184' ' ' LEU . 10.4 t -67.07 -23.88 65.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.096 -179.916 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 -81.33 -26.14 35.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 41.38 84.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.943 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.085 -179.92 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.963 0.411 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -87.48 84.02 7.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 p -72.43 146.85 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -126.57 152.95 45.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.968 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -81.46 178.18 8.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.73 -40.32 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.551 179.974 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.42 -179.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.933 0.397 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -123.4 143.44 50.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.2 t -124.82 -36.37 2.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.108 -179.857 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.11 161.95 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -179.2 89.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.3 p -64.94 158.43 25.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.126 -179.89 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -138.59 159.63 66.74 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.662 0.744 . . . . 0.0 111.022 -179.956 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -170.07 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.714 2.276 . . . . 0.0 112.303 179.959 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -95.56 30.68 2.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -113.51 74.7 2.28 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.6 0.714 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 110.96 2.67 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 -179.998 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 24' ' ' VAL . 13.8 t -105.48 -6.61 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.215 179.875 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 63.96 26.9 14.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 -179.903 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.0 p -93.66 170.41 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 -179.925 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 p -51.46 -44.31 62.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 179.946 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -53.84 -51.62 63.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.76 -179.831 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -60.89 -37.8 83.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.854 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.9 t -65.93 -50.17 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.234 179.86 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.426 ' O ' HG23 ' A' ' 35' ' ' THR . . . -58.58 -51.77 56.89 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.926 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.98 -39.7 97.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.488 -179.918 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.65 -52.64 42.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.774 0.321 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.575 ' CD1' HD23 ' A' ' 184' ' ' LEU . 46.7 mt -56.07 -43.24 74.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.882 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 31' ' ' GLY . 32.5 p -63.69 -44.43 93.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.219 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -58.11 -55.16 38.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.779 179.895 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.704 HG22 HD11 ' A' ' 41' ' ' ILE . 7.5 p -60.72 -35.41 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 179.967 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.653 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -59.74 -48.24 82.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 179.935 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -66.87 -41.44 87.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.854 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -60.17 -43.88 95.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.704 HD11 HG22 ' A' ' 37' ' ' VAL . 30.9 mt -66.46 -49.25 76.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.259 179.865 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.659 HG22 ' OE1' ' A' ' 177' ' ' GLU . 96.4 t -55.7 -42.83 71.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 179.791 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -68.57 -44.31 74.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.486 ' SD ' HD11 ' A' ' 173' ' ' LEU . 0.9 OUTLIER -64.78 -32.05 73.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.955 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -73.78 -51.23 17.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.899 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -28.7 67.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -64.1 -39.34 93.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.618 HD21 HG21 ' A' ' 169' ' ' ILE . 1.1 mp -53.72 -28.24 32.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.4 35.91 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 t30 57.39 30.37 18.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.64 45.17 96.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 179.963 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -91.81 110.8 22.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.36 . . . . 0.0 110.924 -179.891 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.7 p -57.3 -29.8 64.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -72.84 -37.56 67.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.816 -179.968 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.8 t -56.4 -26.45 53.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 21.0 mtp -62.82 -43.7 98.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -116.48 35.13 4.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -86.57 -69.18 0.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.29 27.13 7.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 179.964 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -80.09 -26.14 39.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.36 -65.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.102 179.9 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.75 -42.97 94.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.455 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -53.22 -39.51 63.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 179.731 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -68.05 -29.31 68.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -105.78 32.14 4.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -148.6 26.09 0.94 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.523 HD11 ' HD2' ' A' ' 174' ' ' LYS . 0.2 OUTLIER -93.67 133.45 37.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 179.953 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -75.73 -22.83 56.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.863 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.8 154.66 78.22 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.577 0.703 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 148.56 65.84 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.731 2.287 . . . . 0.0 112.353 179.838 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.96 123.73 10.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 -179.941 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.3 mt -51.68 133.51 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.951 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -94.86 -177.17 4.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.57 140.05 45.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -152.0 71.45 0.97 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.26 -76.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.807 179.84 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -144.68 178.35 22.6 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.536 -179.969 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.56 26.34 8.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 110.863 -179.888 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -91.1 -27.27 18.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -51.92 165.59 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.27 -61.72 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 -179.964 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.84 -41.96 2.8 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.579 -179.955 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 57.66 73.37 0.47 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.996 0.427 . . . . 0.0 110.955 -179.803 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -156.09 -45.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.779 -179.958 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -169.52 -49.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -139.66 -61.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.5 pt -153.51 -41.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.958 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 6.1 p -178.7 110.03 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -173.32 -170.95 0.66 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.82 171.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.934 179.893 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp 63.21 34.41 13.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.869 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.499 HG23 ' CE2' ' A' ' 179' ' ' PHE . 33.8 mt -119.28 -32.33 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 179.912 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.476 ' OG ' HD11 ' A' ' 142' ' ' ILE . 64.0 p -61.52 -37.9 85.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.545 ' OG ' HD23 ' A' ' 144' ' ' LEU . 10.7 m -61.41 -52.18 65.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.836 -179.846 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.78 -51.23 60.25 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.779 HD12 HD11 ' A' ' 129' ' ' ILE . 0.9 OUTLIER -56.66 -49.84 73.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.943 0.401 . . . . 0.0 110.879 -179.907 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.554 HD13 ' HA ' ' A' ' 146' ' ' THR . 21.2 mt -54.67 -49.39 70.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -48.48 75.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -58.3 -43.62 88.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.845 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -58.92 -46.27 88.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.906 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.9 m -63.91 -39.34 93.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.44 ' HB3' HD12 ' A' ' 172' ' ' ILE . 17.8 m-85 -62.57 -63.96 1.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.86 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.512 HD12 ' N ' ' A' ' 104' ' ' GLU . 3.4 pp -53.74 -38.3 64.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.512 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -63.91 -40.92 97.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 179.957 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.765 ' CE1' HG22 ' A' ' 154' ' ' THR . 7.6 t80 -64.92 -52.1 58.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.836 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.516 ' CE ' HD11 ' A' ' 110' ' ' LEU . 4.1 ptt? -66.2 -27.25 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 179.888 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -32.27 71.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.8 -45.37 92.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.897 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -122.04 94.3 4.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.651 HD13 ' HB3' ' A' ' 114' ' ' LYS . 5.1 mt -149.08 178.01 9.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -77.06 -176.03 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.854 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -65.18 -51.02 63.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -66.94 -51.78 51.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.651 ' HB3' HD13 ' A' ' 110' ' ' LEU . 10.0 mmpt? -54.78 -34.13 62.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.892 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.65 -53.08 17.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.978 179.863 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -54.24 -39.24 66.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.855 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -79.32 -33.14 43.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.949 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.49 81.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.068 179.798 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -55.59 -49.33 73.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.2 t -60.95 -41.6 89.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.473 HD21 HG12 ' A' ' 41' ' ' ILE . 1.5 mp -62.55 -48.94 77.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -57.71 -54.03 51.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.992 179.888 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -53.98 -51.0 65.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.28 -51.86 65.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.582 HG22 ' CD1' ' A' ' 129' ' ' ILE . 9.2 m -52.84 -45.93 67.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 -179.878 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -60.31 -44.02 95.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 179.949 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.5 m -62.74 -56.04 21.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.619 HD23 ' N ' ' A' ' 129' ' ' ILE . 0.2 OUTLIER -54.6 -51.98 63.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.912 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.779 HD11 HD12 ' A' ' 96' ' ' LEU . 97.0 mt -57.67 -39.6 70.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.06 179.875 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.22 -48.32 82.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 51.0 mt -67.4 -52.17 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.173 179.938 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.65 ' O ' HG23 ' A' ' 136' ' ' VAL . 4.4 m-85 -56.57 -44.75 81.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -62.81 -48.77 77.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -49.07 69.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -60.72 -52.09 66.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 132' ' ' PHE . 90.3 t -55.67 -55.03 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.148 179.941 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -54.16 -42.34 69.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.807 179.978 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -68.45 -29.35 67.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.862 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.4 tp -77.18 -58.0 3.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.962 -179.966 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -127.35 -75.48 0.58 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.839 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -179.82 -176.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 179.891 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.476 HD11 ' OG ' ' A' ' 93' ' ' SER . 6.2 tp -161.77 144.01 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 179.844 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.459 ' H ' HD12 ' A' ' 142' ' ' ILE . 20.5 m -131.37 -174.16 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.944 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.545 HD23 ' OG ' ' A' ' 94' ' ' SER . 1.7 tp 60.53 107.17 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.69 0.757 . . . . 0.0 110.94 179.923 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.467 ' HD2' HD12 ' A' ' 144' ' ' LEU . 54.6 Cg_endo -69.65 -49.25 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.738 2.292 . . . . 0.0 112.295 179.89 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.554 ' HA ' HD13 ' A' ' 97' ' ' LEU . 0.1 OUTLIER 178.52 147.38 0.37 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.515 0.674 . . . . 0.0 111.191 -179.857 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 175.1 8.5 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.668 2.246 . . . . 0.0 112.35 179.873 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 148' ' ' ILE . 1.0 OUTLIER -120.42 31.27 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.259 179.797 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.2 p -69.24 -28.03 65.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 150' ' ' ASN . . . . . 0.463 ' O ' HG23 ' A' ' 154' ' ' THR . 5.1 t-20 -50.84 -46.63 60.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -57.99 -49.87 75.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.01 179.888 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 18.2 mt -54.32 -55.92 23.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.908 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.512 ' CD1' HG21 ' A' ' 168' ' ' THR . 3.9 mm? -52.7 -61.99 1.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.845 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.765 HG22 ' CE1' ' A' ' 105' ' ' TYR . 64.0 p -50.8 -32.96 21.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.96 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.73 -37.8 76.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 179.936 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -80.06 163.31 24.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.6 tp -161.65 -54.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.883 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.48 176.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.56 145.62 52.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.79 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -75.66 -174.44 2.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.038 179.896 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.1 mttt 59.3 177.32 0.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.808 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 57.63 -173.77 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 43.5 p90 -107.76 142.03 38.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.93 -51.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.883 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -58.99 -26.44 64.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.91 -25.26 19.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 -179.938 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -69.34 -70.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.86 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 168' ' ' THR . . . . . 0.512 HG21 ' CD1' ' A' ' 153' ' ' LEU . 11.6 m -50.31 -45.18 54.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.618 HG21 HD21 ' A' ' 48' ' ' LEU . 1.5 mp -60.02 -48.71 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 179.866 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.69 -32.22 71.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 179.878 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -54.37 18.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.44 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.3 pt -62.95 -38.76 82.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.486 HD11 ' SD ' ' A' ' 44' ' ' MET . 3.5 mm? -68.88 -59.27 3.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.956 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.523 ' HD2' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -56.19 -31.79 63.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.91 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 32.8 t -70.15 -52.03 26.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.0 tp -57.27 -45.25 84.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.659 ' OE1' HG22 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -61.52 -51.73 67.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.908 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.558 ' O ' HG22 ' A' ' 182' ' ' VAL . 13.2 mm-40 -58.41 -37.34 75.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.931 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.499 ' CE2' HG23 ' A' ' 92' ' ' ILE . 32.3 t80 -73.7 -29.43 62.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.461 HD12 ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -74.31 -49.29 23.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.959 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 181' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -61.66 -45.36 94.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.774 179.897 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 178' ' ' GLU . 33.4 m -66.93 -39.38 83.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.106 179.965 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.415 ' N ' HG23 ' A' ' 182' ' ' VAL . 12.0 m -66.4 -35.44 80.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 179.987 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.575 HD23 ' CD1' ' A' ' 34' ' ' ILE . 2.6 tm? -71.98 -48.52 44.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -68.41 -27.93 66.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 -179.971 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 30.0 t -75.31 -52.04 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.847 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.8 t -63.87 -24.93 67.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -72.06 175.95 5.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -114.95 -20.08 10.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 48.6 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.194 -179.936 . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.83 0.348 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 62.45 103.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.001 -179.845 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 86.9 t -137.48 143.48 34.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -144.25 145.33 31.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.9 mtm180 -99.6 -179.86 4.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.789 -179.862 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 129.38 -28.61 4.0 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.562 -179.897 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 40.85 55.23 3.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.761 0.315 . . . . 0.0 110.786 -179.97 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.4 t80 63.3 160.71 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.8 t -74.38 -35.59 63.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.065 -179.876 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -120.65 -170.5 2.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.747 -179.862 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -154.24 51.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 t 179.25 148.39 0.23 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 -179.862 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -138.28 159.67 67.08 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 121.625 0.726 . . . . 0.0 111.051 -179.911 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -170.87 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.728 2.285 . . . . 0.0 112.321 179.916 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -95.97 27.62 3.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 179.996 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 mtm-85 -137.46 73.9 48.27 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.542 0.687 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 122.94 9.6 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.633 2.222 . . . . 0.0 112.319 -179.992 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.402 HG13 HG23 ' A' ' 26' ' ' THR . 8.9 p -82.78 -21.06 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.898 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 63.36 47.95 3.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.402 HG23 HG13 ' A' ' 24' ' ' VAL . 9.3 p -98.34 163.35 12.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.105 -179.969 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.91 -47.11 64.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.081 -179.915 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.7 m -51.56 -51.45 55.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -60.04 -38.75 83.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.0 -179.925 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.3 t -62.39 -54.4 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.961 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.711 ' O ' HG23 ' A' ' 35' ' ' THR . . . -57.12 -52.4 51.61 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.496 179.997 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.23 -40.81 94.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.451 -179.899 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.818 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.1 OUTLIER -64.57 -48.86 73.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.741 0.305 . . . . 0.0 110.906 -179.812 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.674 HG21 ' HG ' ' A' ' 184' ' ' LEU . 21.6 mm -56.17 -42.33 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.206 179.779 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.711 HG23 ' O ' ' A' ' 31' ' ' GLY . 29.9 p -65.59 -44.43 86.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.246 179.842 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -58.61 -55.14 38.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.869 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.716 HG22 HD11 ' A' ' 41' ' ' ILE . 8.9 p -59.49 -36.2 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.687 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -59.93 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.967 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 58.2 t90 -64.99 -43.3 93.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -45.08 94.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.716 HD11 HG22 ' A' ' 37' ' ' VAL . 36.4 mt -63.17 -44.46 99.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.695 HG22 ' OE1' ' A' ' 177' ' ' GLU . 99.1 t -59.31 -46.14 92.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 179.872 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -67.68 -43.98 78.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -31.92 73.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 179.895 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -72.74 -51.21 20.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.16 -28.68 66.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 -179.916 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -53.89 -37.51 63.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.0 mt -55.16 -33.95 63.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.6 m -96.47 40.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 54.95 30.23 13.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.86 41.04 95.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.51 179.946 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -95.01 110.22 22.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 110.831 -179.841 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.3 p -55.18 -28.94 56.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.82 -179.871 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -61.55 -39.34 90.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.7 t -55.1 -29.4 57.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 7.8 mtt -65.92 -48.98 69.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -102.66 35.52 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -88.74 -60.38 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.927 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -121.15 37.96 4.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -103.89 31.07 4.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.786 -179.945 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.93 -25.45 8.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.95 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.87 -34.5 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.97 -41.0 74.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.759 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -53.82 -29.03 38.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -115.31 35.31 4.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -156.18 28.84 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.38 134.48 38.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -25.31 65.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mt -79.02 154.78 77.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 0.0 110.936 179.869 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 156.39 63.36 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.8 2.333 . . . . 0.0 112.345 179.811 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -146.91 143.7 28.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 mp -79.47 142.87 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -115.68 156.12 26.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -77.33 121.65 24.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -126.68 -174.99 3.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.96 179.98 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -127.26 -53.22 1.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.03 176.05 22.8 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.529 -179.96 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 25.3 p -157.77 34.26 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -148.92 -60.21 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.49 176.83 12.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 t -61.35 157.26 17.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.998 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.93 -109.31 2.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.893 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -159.6 141.16 12.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.878 0.37 . . . . 0.0 110.904 -179.748 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -110.03 -179.97 3.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -150.37 165.34 33.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 61.28 -177.9 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 -179.854 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.46 178.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.4 t -152.94 26.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 179.958 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.47 99.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.6 mt -131.07 28.01 4.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 53.61 86.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.808 179.732 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 78.3 mt -113.76 -24.04 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 179.885 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.6 p -66.94 -42.44 85.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -52.63 59.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.82 -179.784 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.3 -51.09 60.94 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 -179.996 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mp -52.78 -53.04 53.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.941 0.401 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.655 HD13 ' HD3' ' A' ' 145' ' ' PRO . 0.2 OUTLIER -55.31 -49.16 72.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.962 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -52.72 -47.8 67.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -59.84 -46.62 88.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.885 -179.841 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -54.62 -46.65 73.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.7 t -65.38 -39.47 92.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.943 -179.834 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.731 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.6 m-85 -59.72 -64.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.929 -179.862 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 104' ' ' GLU . 3.2 pp -53.74 -43.22 68.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.547 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.1 mm-40 -56.2 -43.55 78.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -65.4 -41.1 94.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.54 ' HE3' HD21 ' A' ' 110' ' ' LEU . 2.6 ttt -66.6 -35.8 81.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.585 ' HZ2' ' HB1' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -51.94 -43.9 63.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.997 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -59.03 -19.94 48.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -136.16 85.8 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.817 HD22 ' HB3' ' A' ' 114' ' ' LYS . 11.3 mt -149.5 155.74 40.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.018 179.909 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -68.26 -176.03 0.69 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -64.07 -51.15 65.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.841 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -70.42 -46.37 64.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.817 ' HB3' HD22 ' A' ' 110' ' ' LEU . 1.1 mmmp? -55.9 -46.7 78.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -58.41 -48.52 80.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.83 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.63 -50.36 65.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -68.12 -36.92 80.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.585 ' HB1' ' HZ2' ' A' ' 107' ' ' LYS . . . -54.96 -48.16 73.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.851 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -52.9 -49.16 66.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.6 t -61.24 -38.52 79.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -50.68 61.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -61.74 -30.03 70.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.993 179.899 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -70.28 -52.05 25.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -61.27 -39.18 89.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.45 ' HA ' HD23 ' A' ' 128' ' ' LEU . 7.9 m -65.4 -49.54 68.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.875 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -60.1 -36.57 77.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 18.7 m -67.01 -55.95 12.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 -179.856 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.818 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -58.42 -33.25 69.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.995 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 41.9 mt -70.54 -43.18 78.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.891 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -64.14 -40.95 97.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 89.3 mt -66.62 -51.86 52.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -63.65 -50.19 70.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -57.38 -41.93 81.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -63.54 -47.15 82.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.55 -52.23 65.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 33.8 m -67.27 -33.54 63.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 11.9 tttp -70.0 -27.24 64.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.86 -45.58 14.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 179.813 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.18 21.27 10.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.982 179.968 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 178.59 -169.33 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.833 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.21 -171.42 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.475 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.66 145.99 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.857 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.475 ' N ' HD13 ' A' ' 142' ' ' ILE . 24.4 m -138.38 -177.23 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.192 179.772 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.55 140.8 25.69 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.53 0.681 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.655 ' HD3' HD13 ' A' ' 97' ' ' LEU . 53.3 Cg_endo -69.83 -48.35 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 179.844 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.4 m 65.46 66.86 0.81 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.602 0.715 . . . . 0.0 111.205 -179.923 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.93 169.02 20.12 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.754 2.302 . . . . 0.0 112.303 -179.986 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.8 tt -118.31 -15.13 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.184 179.965 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.54 ' O ' HD12 ' A' ' 153' ' ' LEU . 0.2 OUTLIER -51.93 -29.4 20.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.888 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 150' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 154' ' ' THR . 54.0 t30 -50.91 -41.4 58.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.88 94.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.161 179.861 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.86 -57.44 9.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 149' ' ' SER . 1.0 OUTLIER -55.5 -53.17 59.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.922 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 150' ' ' ASN . 72.9 p -58.54 -36.29 73.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 -179.996 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.04 -32.03 73.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.4 179.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.37 179.74 6.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -111.93 108.12 17.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.2 m -137.27 -173.39 3.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.82 -179.76 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -107.78 -64.64 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -93.88 172.31 8.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.85 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -105.5 66.91 0.75 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -116.98 -28.28 6.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 78.7 mt -68.08 -32.58 73.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -64.84 -43.12 94.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.807 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.14 -26.87 12.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 -179.881 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -69.83 -69.69 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.1 m -48.77 -44.39 38.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.87 -46.32 96.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 179.848 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -61.24 -33.42 73.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -55.3 9.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.731 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.3 pt -61.12 -36.24 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.208 -179.985 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 18.6 mt -67.31 -52.32 41.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -58.03 -41.42 83.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 179.885 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 3.1 p -64.22 -47.5 79.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.0 tp -56.53 -53.49 56.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.695 ' OE1' HG22 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -57.24 -56.07 26.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 179.942 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -56.85 -30.03 63.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.484 ' HA ' HG12 ' A' ' 182' ' ' VAL . 40.4 t80 -76.1 -32.51 59.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.816 -179.867 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.414 HD12 ' CD1' ' A' ' 41' ' ' ILE . 44.3 mt -72.33 -45.68 58.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -43.0 71.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.87 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 179' ' ' PHE . 5.4 p -66.67 -33.24 62.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.136 179.846 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.518 ' O ' HG22 ' A' ' 187' ' ' THR . 18.6 m -75.54 -42.58 52.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.198 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.674 ' HG ' HG21 ' A' ' 34' ' ' ILE . 2.1 tm? -64.1 -40.99 97.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 179.953 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -74.38 -47.47 33.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 32.1 t -54.83 -52.21 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 183' ' ' THR . 13.9 t -66.32 -21.55 66.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.155 -179.966 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -85.23 179.43 7.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.75 16.61 21.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 -179.951 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.909 0.385 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -122.03 103.35 8.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 63.6 t -147.92 124.23 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 -179.932 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -135.93 68.67 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 54.39 -176.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.91 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.74 27.42 12.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.486 -179.889 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.2 147.14 34.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.371 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -130.06 176.61 7.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 t -123.81 -39.04 2.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 -179.921 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 44.05 -163.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.29 92.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.805 179.944 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 t -63.11 157.33 22.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.174 -179.914 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.51 159.64 70.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 111.215 179.93 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -170.17 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.68 2.253 . . . . 0.0 112.397 179.904 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -94.01 39.92 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -113.74 74.19 2.38 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.636 0.731 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.88 86.69 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.784 2.323 . . . . 0.0 112.256 -179.88 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.9 t -78.88 -11.45 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.075 179.919 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 63.76 29.83 14.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.82 -179.917 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -97.26 176.9 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 -179.981 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.05 -30.59 66.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 -179.876 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.7 m -68.95 -45.75 69.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -59.9 -51.32 70.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 31' ' ' GLY . 19.1 m -61.59 -42.73 95.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.418 ' N ' HG23 ' A' ' 30' ' ' VAL . . . -57.82 -52.28 53.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.44 179.986 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.42 -37.97 95.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.47 -179.938 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.696 HD21 ' O ' ' A' ' 124' ' ' ASP . 3.2 tt -66.41 -40.44 89.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.824 0.345 . . . . 0.0 110.855 -179.865 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.543 ' O ' HD23 ' A' ' 38' ' ' LEU . 12.0 mm -64.84 -49.63 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.863 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.9 p -61.56 -44.81 96.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -62.53 -54.99 31.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -31.83 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.669 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.9 OUTLIER -66.99 -48.83 67.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.994 179.899 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -62.52 -41.38 98.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.85 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.417 ' HB3' HD11 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -62.94 -50.45 70.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.997 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.9 mt -57.25 -44.74 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 38' ' ' LEU . 99.0 t -59.54 -57.06 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.023 179.911 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -57.9 -45.37 86.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.9 ttt -63.17 -31.85 73.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -69.67 -51.21 36.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -70.52 -28.49 64.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.997 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -53.86 -34.85 60.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.908 HD23 HG22 ' A' ' 166' ' ' THR . 9.9 mp -55.3 -33.4 63.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.9 m -96.42 34.57 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.878 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 t30 62.24 26.83 16.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.06 39.09 96.1 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.538 -179.991 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -93.22 112.22 24.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.763 0.316 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.9 p -55.29 -26.85 42.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 -179.794 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.02 -47.08 81.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -27.59 38.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 30.9 mtp -65.22 -34.82 79.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.851 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -121.3 28.5 7.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -98.0 -56.17 2.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.781 -179.953 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -96.29 26.28 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.839 179.979 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -96.19 26.42 4.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.804 -179.933 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.29 -29.47 7.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.884 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.57 -38.96 3.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.464 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -61.56 -37.42 83.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 179.857 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -67.52 -29.06 68.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -105.22 27.1 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -139.16 26.63 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -104.59 133.19 49.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 -179.977 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.75 25.74 10.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.874 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.409 HD22 ' CB ' ' A' ' 175' ' ' SER . 10.5 mp -84.11 160.61 57.22 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.574 0.702 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 119.2 6.18 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.741 2.294 . . . . 0.0 112.299 179.909 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.92 160.36 32.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 60.5 mt -85.9 146.34 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 179.93 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -96.81 66.01 2.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.878 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.18 -75.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 54.17 90.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -133.33 65.23 1.59 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.794 179.932 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.79 152.9 0.15 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.449 -179.961 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 75.5 m -123.77 42.46 3.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 110.839 -179.932 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.2 t80 63.22 172.41 0.16 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 -179.984 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 58.49 94.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.4 p -121.38 111.52 17.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 -179.97 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 177.39 56.38 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.446 179.922 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 62.09 166.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.4 t30 57.59 48.25 14.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.61 107.26 8.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -136.46 53.19 1.93 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.487 ' H ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -117.97 175.34 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.096 179.983 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 26.7 m 58.87 80.9 0.17 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.886 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.3 mp -104.5 174.12 6.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.15 178.12 10.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -94.89 99.68 11.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 43.6 mt -115.55 -29.14 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.883 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.583 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -65.94 -50.08 65.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.874 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 t -59.0 -51.98 67.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.93 -51.0 59.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.607 179.946 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.66 HD13 HG12 ' A' ' 129' ' ' ILE . 30.9 mt -54.59 -53.6 52.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.903 0.383 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 93' ' ' SER . 0.3 OUTLIER -53.06 -49.11 67.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.948 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.4 -51.67 64.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.899 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.411 ' HB3' HD13 ' A' ' 176' ' ' LEU . 34.0 m-85 -54.69 -49.03 71.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.986 -179.884 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -54.33 -49.72 69.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.918 179.86 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.1 m -61.22 -36.32 79.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.75 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.507 ' HD1' HD11 ' A' ' 153' ' ' LEU . 17.8 m-85 -63.43 -64.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.835 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.5 pp -55.22 -35.13 64.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.006 179.91 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.462 ' N ' HD12 ' A' ' 103' ' ' LEU . 2.3 mm-40 -66.15 -41.61 90.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.867 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.681 ' CD2' HD13 ' A' ' 153' ' ' LEU . 35.5 t80 -65.79 -52.14 53.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.858 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 13.1 ptm -63.77 -32.38 73.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -67.45 -25.99 66.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -59.86 -39.21 84.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.959 179.903 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -125.94 96.57 4.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.808 -179.962 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.628 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.9 mt -145.48 173.68 11.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -73.35 -175.89 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.4 -51.18 68.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.8 179.863 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -72.08 -48.01 47.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.628 ' CB ' HD22 ' A' ' 110' ' ' LEU . 1.2 mmmp? -55.92 -33.93 65.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -67.37 -46.08 74.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.939 179.818 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.49 -46.01 91.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 179.881 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -68.78 -47.4 66.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.96 -43.34 73.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 179.917 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -49.65 72.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.2 t -61.69 -43.31 96.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.417 HD11 ' HB3' ' A' ' 40' ' ' GLU . 3.2 mp -55.98 -50.19 71.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.1 tm0? -61.24 -48.16 82.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -55.56 -53.27 58.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.696 ' O ' HD21 ' A' ' 33' ' ' LEU . 3.1 m-20 -55.01 -55.21 33.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.3 m -56.25 -44.32 79.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.209 -179.958 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -53.36 53.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.551 HG22 HD11 ' A' ' 131' ' ' ILE . 97.5 m -61.7 -37.29 83.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.065 -179.816 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.555 HD23 HD22 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -63.09 -52.06 64.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.992 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.66 HG12 HD13 ' A' ' 96' ' ' LEU . 27.9 mt -61.06 -38.08 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.819 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -46.23 88.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.859 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.551 HD11 HG22 ' A' ' 127' ' ' THR . 20.0 mt -63.41 -53.01 50.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.544 ' O ' HG23 ' A' ' 136' ' ' VAL . 2.4 m-85 -59.84 -50.02 75.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -61.7 -37.83 85.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.56 -53.4 56.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -60.87 -51.82 67.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 132' ' ' PHE . 94.7 t -57.89 -40.08 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.042 -179.986 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.502 ' HD3' HG13 ' A' ' 143' ' ' VAL . 2.2 mmmt -67.01 -39.72 87.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.893 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -48.02 79.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.886 179.869 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.9 tt -74.47 -24.7 59.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.86 104.79 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.818 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -51.62 128.62 23.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.2 tp -167.48 132.54 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.502 HG13 ' HD3' ' A' ' 137' ' ' LYS . 5.7 m -153.04 159.54 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.866 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.53 85.99 0.3 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.567 0.699 . . . . 0.0 110.962 179.957 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.548 ' HA ' HD13 ' A' ' 97' ' ' LEU . 52.6 Cg_endo -69.86 -85.96 0.0 OUTLIER 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 179.901 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 26.7 m 61.64 68.11 1.22 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.547 0.689 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 102.53 1.04 Allowed 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.677 2.251 . . . . 0.0 112.378 179.942 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 1.1 tt -118.17 -28.9 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.988 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.4 p -52.15 -47.09 65.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 150' ' ' ASN . . . . . 0.484 ' O ' HG23 ' A' ' 154' ' ' THR . 7.8 t30 -56.34 -49.08 75.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.91 -49.57 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.934 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.6 mp -56.92 -59.94 4.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.681 HD13 ' CD2' ' A' ' 105' ' ' TYR . 15.5 mt -53.32 -55.34 25.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.817 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 150' ' ' ASN . 72.6 p -54.31 -33.08 58.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -32.98 73.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -76.46 -43.0 41.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 179.925 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.7 tt -52.98 120.58 6.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.91 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -177.16 154.29 1.04 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 59.97 -175.19 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.802 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -55.5 -72.73 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.78 148.82 3.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.985 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -176.42 179.72 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER 60.71 175.26 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.22 107.75 18.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -71.33 -32.31 68.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 166' ' ' THR . . . . . 0.908 HG22 HD23 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -53.09 -26.07 15.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.174 -179.895 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -69.75 -70.08 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.4 m -49.42 -45.21 46.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.68 -49.95 82.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.892 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -61.3 -29.59 69.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -55.49 9.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.811 -179.848 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 102' ' ' TYR . 21.3 pt -60.39 -35.67 64.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.149 179.999 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.08 -51.62 52.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.956 179.879 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -57.01 -48.01 79.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.811 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.409 ' CB ' HD22 ' A' ' 69' ' ' LEU . 2.7 p -61.03 -46.63 89.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.411 HD13 ' HB3' ' A' ' 99' ' ' TYR . 9.9 tp -55.56 -48.12 75.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -54.5 45.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 182' ' ' VAL . 24.7 mt-10 -54.61 -50.24 68.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.49 -34.65 74.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 4.3 mt -63.86 -61.73 2.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -44.43 68.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.83 179.807 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 178' ' ' GLU . 77.0 t -60.97 -41.52 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.15 179.914 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.487 ' O ' HG22 ' A' ' 187' ' ' THR . 74.3 m -63.24 -44.49 95.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -179.947 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.515 ' O ' HD13 ' A' ' 184' ' ' LEU . 0.7 OUTLIER -63.39 -43.82 96.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.976 179.982 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -70.24 -33.67 71.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.856 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 29.3 t -72.37 -52.14 17.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.763 -179.737 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 183' ' ' THR . 14.6 t -65.34 -16.94 64.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.935 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -83.96 117.64 23.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -111.05 -19.99 12.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.162 -179.934 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.527 0.06 0 CA-C-O 120.904 0.383 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 62.67 84.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 p -75.57 143.86 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 -179.995 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.61 128.62 36.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.21 167.18 10.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.816 -179.915 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.07 53.49 0.1 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 -179.917 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -75.7 123.33 25.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -129.67 176.18 8.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.918 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.6 t -126.07 -37.85 2.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 -179.958 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -137.48 175.72 9.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -172.0 32.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.835 -179.995 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 64.3 p -71.73 128.54 36.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.212 -179.956 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.25 159.72 69.75 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.539 0.685 . . . . 0.0 111.182 179.987 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 -170.98 0.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -96.59 32.74 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.958 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.2 mtt-85 -115.33 73.68 3.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.709 0.766 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 122.8 9.47 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.658 2.239 . . . . 0.0 112.404 179.984 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.524 HG23 ' H ' ' A' ' 26' ' ' THR . 17.0 m -89.16 -21.96 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.929 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 61.93 33.31 17.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.524 ' H ' HG23 ' A' ' 24' ' ' VAL . 45.6 p -96.61 165.97 11.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.246 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.22 -33.78 42.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 m -69.05 -44.65 72.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -51.06 70.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 31' ' ' GLY . 18.5 m -60.67 -42.14 90.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 -179.952 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.714 ' O ' HG23 ' A' ' 35' ' ' THR . . . -59.24 -53.39 46.7 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.519 179.985 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.09 -44.75 97.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.909 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.78 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.1 OUTLIER -62.84 -44.46 96.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 0.0 110.957 -179.968 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.673 HG21 ' HG ' ' A' ' 184' ' ' LEU . 9.9 mm -57.58 -42.52 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 31' ' ' GLY . 26.8 p -66.5 -43.25 85.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.959 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -55.48 34.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.42 HG22 ' CD1' ' A' ' 41' ' ' ILE . 7.7 p -59.07 -39.94 79.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.742 HD22 HD13 ' A' ' 180' ' ' LEU . 0.3 OUTLIER -54.99 -49.06 72.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.996 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -66.9 -38.84 86.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.471 ' HB3' HD11 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -61.69 -43.59 98.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 179.947 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.42 ' CD1' HG22 ' A' ' 37' ' ' VAL . 65.3 mt -65.42 -49.13 80.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.07 -179.973 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 38' ' ' LEU . 74.2 t -55.02 -58.7 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.892 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -46.84 78.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.455 ' HE1' ' HB2' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -59.97 -31.6 70.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.992 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.401 ' HA ' HD13 ' A' ' 173' ' ' LEU . 8.1 ttp85 -71.85 -51.34 22.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -67.98 -28.92 67.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -55.13 -35.36 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.25 -29.74 70.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -96.11 32.87 1.83 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 179.908 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.82 32.38 15.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.86 44.11 98.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.441 179.869 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -100.25 113.26 25.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.824 0.345 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 85.5 p -63.04 -39.49 94.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -26.61 67.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.0 t -65.97 -26.69 67.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.1 mmm -72.85 -41.64 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -96.84 31.39 2.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -92.93 -61.64 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -99.66 30.03 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.803 179.99 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -97.72 30.5 2.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.63 -30.14 5.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.057 179.962 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.6 -38.83 3.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.78 -34.56 65.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.831 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.13 -28.71 58.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -122.63 38.97 4.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -154.05 28.68 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.951 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.5 139.6 34.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -25.46 45.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.52 154.69 78.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.687 0.756 . . . . 0.0 110.926 179.894 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 145.35 56.94 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.684 2.256 . . . . 0.0 112.411 179.826 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -148.02 118.89 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.412 ' HB ' HG11 ' A' ' 182' ' ' VAL . 4.6 mt -51.66 142.27 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.988 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.49 -37.86 6.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.23 179.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.855 -179.843 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -141.92 173.66 11.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -126.79 -60.45 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.801 179.908 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 142.13 -70.75 0.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.523 -179.856 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 34.1 m 55.59 74.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -155.87 28.92 0.37 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -101.54 172.55 6.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.29 173.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -179.899 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -132.34 25.81 3.79 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.437 179.923 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -127.02 -44.98 1.59 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.774 0.321 . . . . 0.0 110.869 -179.746 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -161.24 122.04 2.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.82 -179.958 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -109.52 27.89 9.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 53.07 -170.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -117.47 115.48 48.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.216 179.875 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.608 ' C ' HD13 ' A' ' 89' ' ' LEU . 73.3 m -127.03 104.68 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.687 ' N ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -149.85 165.32 32.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 179.923 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.488 HD22 ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -136.48 166.62 23.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.86 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -77.2 92.76 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.837 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.5 mt -103.47 -24.43 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 179.891 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.749 ' HB2' HD11 ' A' ' 142' ' ' ILE . 0.6 OUTLIER -64.59 -50.03 68.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.894 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.4 t -56.49 -51.9 66.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.723 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.43 -52.04 54.14 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.443 179.993 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.421 HD23 HG12 ' A' ' 129' ' ' ILE . 1.3 mp -61.24 -38.67 87.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.84 0.353 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.856 HD13 HD21 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -63.33 -48.91 76.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.976 179.839 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.516 ' N ' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -59.93 -52.38 65.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.914 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.649 ' HB3' HD13 ' A' ' 176' ' ' LEU . 21.7 m-85 -54.81 -46.57 74.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.003 -179.962 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -57.67 -49.66 75.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.812 179.941 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.8 m -61.89 -31.94 72.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.8 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.782 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.0 m-85 -67.95 -64.29 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.579 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.4 pp -52.79 -39.79 62.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.579 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -66.23 -43.59 86.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.971 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.749 ' CD2' HD13 ' A' ' 153' ' ' LEU . 45.8 t80 -59.61 -44.94 93.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.985 -179.909 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 18.9 ttp -75.0 -28.04 60.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.841 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -66.19 -31.24 71.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -59.84 -33.88 72.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -129.62 98.21 4.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 -179.961 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.613 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.6 mt -149.06 173.99 12.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -66.42 -176.17 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.834 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -62.94 -51.16 67.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.904 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.61 -44.75 41.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.613 ' CB ' HD22 ' A' ' 110' ' ' LEU . 20.6 mmtm -55.8 -37.21 68.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.9 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -67.31 -43.8 80.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.26 -48.51 81.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.788 179.935 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.451 ' O ' HD12 ' A' ' 121' ' ' LEU . 11.8 mmtt -69.7 -44.11 71.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.455 ' HB2' ' HE1' ' A' ' 44' ' ' MET . . . -54.77 -44.12 73.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.089 179.839 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -55.88 -49.84 72.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.477 ' O ' ' HG3' ' A' ' 123' ' ' ARG . 46.2 t -63.38 -32.8 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.902 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.471 HD11 ' HB3' ' A' ' 40' ' ' GLU . 0.3 OUTLIER -70.09 -36.5 74.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.979 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -71.39 -54.07 11.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -53.75 -44.84 70.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.892 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.474 ' N ' ' HE ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -64.31 -44.58 91.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.96 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.616 HG22 HD12 ' A' ' 129' ' ' ILE . 69.2 m -56.75 -45.0 82.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.906 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.2 -41.87 94.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.4 m -61.86 -56.01 23.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -179.894 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.78 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -60.88 -34.82 75.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.952 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.616 HD12 HG22 ' A' ' 125' ' ' THR . 23.2 mt -69.76 -33.68 57.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.869 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -72.15 -41.92 66.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.9 mt -67.2 -46.95 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.453 ' O ' HG23 ' A' ' 136' ' ' VAL . 2.0 m-85 -65.57 -49.97 66.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -60.24 -40.35 89.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -63.19 -53.54 51.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.21 -49.01 73.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 132' ' ' PHE . 97.7 t -64.03 -42.9 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -45.16 79.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -74.88 -30.61 61.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.832 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.07 -49.08 66.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -134.53 -75.64 0.46 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.785 179.925 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.59 176.54 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.749 HD11 ' HB2' ' A' ' 93' ' ' SER . 7.7 tp -176.41 144.95 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.167 179.914 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.9 m -123.22 152.41 28.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 179.749 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.856 HD21 HD13 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -174.28 87.91 0.34 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.632 0.73 . . . . 0.0 110.952 179.96 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.527 ' O ' HG23 ' A' ' 146' ' ' THR . 54.2 Cg_endo -69.7 -48.63 0.69 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 179.881 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -178.87 159.13 1.01 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.619 0.723 . . . . 0.0 111.116 -179.901 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.516 ' HD2' HG22 ' A' ' 146' ' ' THR . 53.3 Cg_endo -69.72 164.4 34.65 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.619 2.213 . . . . 0.0 112.327 179.967 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.5 tt -130.28 -38.91 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.9 m -51.36 -41.87 60.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 150' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 154' ' ' THR . 0.9 OUTLIER -51.7 -47.5 63.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.96 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -63.15 -36.3 83.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.86 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 40.7 mt -62.5 -60.16 3.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.749 HD13 ' CD2' ' A' ' 105' ' ' TYR . 12.8 mt -56.37 -50.64 70.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 150' ' ' ASN . 71.2 p -59.4 -33.61 71.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.989 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.53 -28.76 69.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -108.61 100.62 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 11.7 tp -141.45 143.86 34.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.957 179.884 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -139.68 -74.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.9 t -176.27 -74.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -149.64 -71.83 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 59.28 178.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -55.13 174.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -72.44 83.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 2.6 pp -111.09 -34.97 6.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 179.948 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 10.6 ptt-85 -62.06 -26.77 68.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.74 -26.64 5.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 -179.95 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.45 -69.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.859 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.0 m -48.38 -42.33 31.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.9 mm -65.99 -43.72 92.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -63.09 -34.99 78.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.923 179.918 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -55.01 10.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.86 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.782 HD12 ' HB3' ' A' ' 102' ' ' TYR . 20.1 pt -60.36 -35.61 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 173' ' ' LEU . 18.1 mt -67.69 -53.48 27.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -58.55 -46.47 86.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.758 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 6.0 t -62.69 -42.21 99.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.649 HD13 ' HB3' ' A' ' 99' ' ' TYR . 7.0 tp -59.1 -55.79 30.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.939 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.54 -51.72 67.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -54.39 -50.14 68.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -63.73 -34.88 78.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.742 HD13 HD22 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -63.56 -67.25 0.44 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.891 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 181' ' ' LYS . . . . . 0.549 ' HD2' HG23 ' A' ' 182' ' ' VAL . 0.0 OUTLIER -52.01 -43.67 63.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.777 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.549 HG23 ' HD2' ' A' ' 181' ' ' LYS . 19.0 t -59.66 -41.8 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 179.834 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 55.2 m -64.68 -50.82 65.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.052 -179.946 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.673 ' HG ' HG21 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -55.06 -52.37 63.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.994 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -64.98 -33.36 75.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.88 -51.48 64.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.753 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.7 t -66.72 -24.4 66.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -79.58 155.33 28.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.818 -179.948 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -59.64 -20.88 59.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.046 179.937 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.182 -179.889 . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.808 0.337 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -133.15 101.18 5.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 p -108.02 149.97 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -106.33 98.84 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -68.45 166.56 16.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.59 -40.2 0.11 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.516 179.979 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.54 -179.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -113.41 166.83 11.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.7 t -125.36 -37.05 2.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -133.05 -174.91 3.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -168.34 55.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.1 p -145.68 152.98 40.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.072 -179.821 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.15 159.56 67.75 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.462 0.649 . . . . 0.0 111.131 -179.914 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -172.18 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.626 2.217 . . . . 0.0 112.283 179.917 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -103.3 -26.15 13.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.2 ptt180 -139.92 156.19 70.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.589 0.709 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 105.5 1.5 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 -179.982 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.593 ' HB ' HG22 ' A' ' 26' ' ' THR . 21.7 t -91.99 -21.17 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 -179.984 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 63.39 26.01 14.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.642 HG23 ' H ' ' A' ' 29' ' ' GLN . 4.3 t -97.59 160.67 14.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.981 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.98 -35.41 46.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.93 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 t -67.7 -43.4 80.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.859 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.642 ' H ' HG23 ' A' ' 26' ' ' THR . 2.6 tm0? -62.29 -51.25 68.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 -179.998 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 m -61.83 -39.79 84.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.888 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.46 -52.81 48.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 179.934 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.58 -35.62 92.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.89 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 128' ' ' LEU . 10.2 tt -69.02 -39.34 79.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.637 ' CD1' HD23 ' A' ' 184' ' ' LEU . 34.3 mt -65.14 -49.05 81.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.149 179.865 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.7 t -62.63 -39.83 95.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -62.3 -55.35 29.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.429 HG22 HD11 ' A' ' 41' ' ' ILE . 13.7 p -60.2 -33.48 53.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 179.896 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.464 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -62.18 -49.06 77.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.958 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -64.43 -41.96 96.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.67 ' HB3' HD11 ' A' ' 121' ' ' LEU . 1.2 tm-20 -61.04 -41.99 97.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.953 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.429 HD11 HG22 ' A' ' 37' ' ' VAL . 57.7 mt -64.26 -47.42 89.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 -179.952 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 38' ' ' LEU . 96.8 t -58.58 -42.23 84.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 179.86 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.69 -42.29 64.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -31.61 72.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.2 ttp85 -77.13 -51.15 11.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.5 pttp -67.36 -28.65 68.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -54.13 -39.3 66.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.809 179.981 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.7 mt -56.28 -28.73 59.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.4 m -96.55 27.28 3.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.827 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.48 32.3 20.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 59.02 44.93 95.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.552 179.964 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -98.94 116.45 31.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -59.34 -31.73 69.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -64.4 -41.74 96.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.71 -26.71 64.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.6 mtp -69.35 -46.41 67.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -99.57 29.52 4.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -87.63 -53.57 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.14 23.05 14.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.805 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -98.75 29.71 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.32 -32.72 6.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.2 -26.42 7.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.37 -35.14 64.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.19 179.848 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -54.61 -27.4 39.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -121.7 35.22 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -146.29 27.35 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.826 -180.0 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.14 133.11 52.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.889 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -90.66 -24.22 20.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.805 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.411 HD23 ' HE1' ' A' ' 99' ' ' TYR . 8.6 mp -65.43 160.66 57.5 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.671 0.748 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 129.82 18.29 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.667 2.245 . . . . 0.0 112.394 179.827 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -137.77 155.23 49.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 179.998 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.687 HD12 HG23 ' A' ' 182' ' ' VAL . 34.0 mt -104.31 129.19 57.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.203 179.966 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -87.93 -71.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -167.47 -42.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 69.33 -75.62 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.9 t70 58.04 58.16 3.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.909 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 173.07 -123.25 0.98 Allowed Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.436 -179.944 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 31.1 m 57.63 53.39 7.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.84 0.353 . . . . 0.0 110.824 -179.818 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -168.25 -48.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.805 -179.884 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.574 ' C ' HG23 ' A' ' 81' ' ' THR . 6.6 mt-30 -62.65 -27.26 69.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.574 HG23 ' C ' ' A' ' 80' ' ' GLN . 1.3 p 72.27 -54.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 -179.85 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 53.54 -135.42 41.57 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.954 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -138.27 -72.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.381 . . . . 0.0 110.9 -179.786 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -96.41 39.4 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.765 -179.898 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -173.95 -173.47 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.966 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 62.35 -176.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.8 mt 63.43 105.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 11.8 p -115.46 162.99 16.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 179.943 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.1 mp -91.46 170.18 10.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.011 179.927 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.44 124.42 49.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.96 64.18 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.812 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 57.6 mt -110.95 -23.96 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.7 p -71.06 -48.47 52.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.898 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.608 ' HA ' HD21 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -54.54 -48.4 72.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.845 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.17 -52.44 47.4 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.41 HD13 ' HE2' ' A' ' 179' ' ' PHE . 1.1 mp -58.21 -55.5 34.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.863 0.363 . . . . 0.0 110.943 -179.878 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.605 HD13 HD12 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -52.93 -47.68 67.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.88 179.872 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.433 ' N ' HD23 ' A' ' 97' ' ' LEU . 4.8 mt-10 -54.74 -51.52 65.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.411 ' HE1' HD23 ' A' ' 69' ' ' LEU . 22.9 m-85 -55.77 -47.0 77.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.959 -179.879 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -55.04 -48.07 73.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.809 179.94 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.1 p -62.92 -37.1 85.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.785 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.1 m-85 -62.14 -62.95 1.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.51 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.5 pp -55.68 -37.14 67.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.51 ' N ' HD12 ' A' ' 103' ' ' LEU . 18.2 mt-10 -63.2 -42.28 99.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.937 179.907 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -69.4 -37.1 77.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.878 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.2 ttp -75.22 -28.39 59.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.81 179.934 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -67.45 -28.17 67.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -59.88 -33.59 72.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -132.33 97.09 4.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 179.917 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.503 HD22 ' HB3' ' A' ' 114' ' ' LYS . 6.1 mt -148.81 178.03 9.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -176.05 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 179.811 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.09 -51.14 63.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.865 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -75.92 -42.83 47.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.503 ' HB3' HD22 ' A' ' 110' ' ' LEU . 23.1 mmtm -55.88 -42.82 76.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.941 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -67.89 -48.04 67.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -50.05 61.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.838 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -72.71 -36.85 67.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.94 -45.52 74.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.002 179.912 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -55.52 -50.05 71.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.889 -179.859 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 78.1 t -60.39 -41.89 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.67 HD11 ' HB3' ' A' ' 40' ' ' GLU . 0.3 OUTLIER -58.25 -46.08 86.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.992 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -64.71 -40.66 95.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.06 -55.0 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.807 -179.938 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -37.82 86.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.594 HG22 HD12 ' A' ' 129' ' ' ILE . 86.4 m -59.88 -44.53 94.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 -179.914 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.94 -37.88 82.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.406 HG22 HD11 ' A' ' 131' ' ' ILE . 23.0 m -64.21 -56.56 13.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 -179.842 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.537 ' HB3' HD22 ' A' ' 33' ' ' LEU . 2.4 pp -61.53 -38.23 86.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.594 HD12 HG22 ' A' ' 125' ' ' THR . 22.3 mt -65.81 -36.41 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 179.773 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -41.45 74.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 128' ' ' LEU . 6.7 mt -64.91 -52.41 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.954 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.83 -50.27 72.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -57.94 -39.73 78.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.888 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -63.12 -51.63 65.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.76 -51.96 65.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.876 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.2 p -65.96 -28.06 42.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -39.54 78.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.21 -40.78 51.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.758 -179.945 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.02 -57.87 3.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.861 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.17 -169.71 1.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.767 179.898 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.02 -176.5 3.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.465 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.34 146.42 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.869 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.465 ' N ' HD13 ' A' ' 142' ' ' ILE . 28.4 m -130.38 130.89 65.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 179.763 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.608 HD21 ' HA ' ' A' ' 94' ' ' SER . 0.2 OUTLIER -175.8 86.64 0.29 Allowed Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.576 0.703 . . . . 0.0 110.969 -179.934 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.79 -48.82 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.661 2.241 . . . . 0.0 112.281 179.952 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 178.58 148.04 0.38 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.64 0.733 . . . . 0.0 111.117 -179.932 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.605 ' HD3' HD11 ' A' ' 97' ' ' LEU . 53.4 Cg_endo -69.76 175.34 8.24 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.641 2.227 . . . . 0.0 112.352 179.894 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.24 -35.17 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.001 179.953 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.6 m -51.64 -35.59 42.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 150' ' ' ASN . . . . . 0.482 ' O ' HG23 ' A' ' 154' ' ' THR . 8.7 p-10 -51.5 -51.02 58.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.75 -34.24 74.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.795 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 47.7 mt -63.58 -58.78 5.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.55 -50.46 71.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 150' ' ' ASN . 60.4 p -59.18 -35.61 73.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.217 179.945 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -70.97 -28.08 64.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 179.896 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -78.1 -74.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.17 173.15 9.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.943 179.859 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -176.17 37.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.893 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.1 t -172.5 -60.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.782 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.48 178.38 8.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.39 142.29 20.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.39 167.36 20.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 3.5 p-90 -57.12 -28.71 62.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.81 -27.13 68.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -37.16 84.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.882 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.32 -26.51 12.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.907 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -69.43 -70.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 179.868 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.9 m -48.64 -45.57 38.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.219 -179.992 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.39 -47.02 95.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -61.67 -32.96 73.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 179.967 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -55.16 11.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.785 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.9 pt -60.8 -35.95 67.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.52 -51.74 53.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 179.853 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -58.3 -46.89 85.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.793 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 2.6 t -60.03 -45.45 92.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.584 HD11 HD11 ' A' ' 180' ' ' LEU . 10.0 tp -57.63 -54.99 40.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -53.44 -57.07 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.9 -50.15 69.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.41 ' HE2' HD13 ' A' ' 96' ' ' LEU . 25.3 t80 -55.13 -41.7 72.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.584 HD11 HD11 ' A' ' 176' ' ' LEU . 48.6 mt -63.58 -40.54 97.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -66.02 -53.54 37.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.778 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.687 HG23 HD12 ' A' ' 72' ' ' ILE . 27.0 m -60.09 -34.16 55.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.046 179.941 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 89.7 m -73.11 -37.25 66.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.637 HD23 ' CD1' ' A' ' 34' ' ' ILE . 3.0 tm? -69.99 -36.84 75.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.897 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -80.64 -31.41 36.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.792 -179.954 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 186' ' ' SER . . . . . 0.648 ' HA ' HG23 ' A' ' 190' ' ' THR . 10.9 m -74.92 -49.98 18.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.791 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.9 t -52.04 -29.63 21.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.104 -179.901 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -54.84 -75.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -149.47 18.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.648 HG23 ' HA ' ' A' ' 186' ' ' SER . 8.1 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.128 -179.916 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.845 0.355 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -116.24 71.64 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.98 179.933 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 p -109.22 146.35 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -78.65 127.15 31.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -128.77 -179.69 5.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.06 47.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -135.98 94.71 3.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.804 0.335 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.81 165.92 15.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.9 t -115.18 -32.43 5.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 43.85 -163.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -154.19 73.36 0.92 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 p 52.99 -174.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.159 -179.901 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.6 159.64 33.48 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.621 0.724 . . . . 0.0 111.042 -179.954 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 -171.11 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.577 2.185 . . . . 0.0 112.392 179.866 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -77.11 -37.29 54.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -125.35 155.37 71.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.561 0.696 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 84.08 0.67 Allowed 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.715 2.277 . . . . 0.0 112.295 -179.989 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.613 HG12 HG23 ' A' ' 26' ' ' THR . 21.4 t -66.55 -13.84 16.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.888 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 63.53 27.75 15.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 179.987 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.613 HG23 HG12 ' A' ' 24' ' ' VAL . 12.8 p -83.53 177.01 8.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.141 -179.943 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.12 -33.58 74.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -43.58 78.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -50.5 71.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.611 ' CG1' HG21 ' A' ' 131' ' ' ILE . 23.4 m -62.33 -39.34 83.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.65 -52.87 48.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.437 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.12 -36.06 92.49 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 -179.924 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.582 HD21 ' N ' ' A' ' 128' ' ' LEU . 6.8 tp -66.9 -39.25 87.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.753 0.311 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.471 HG21 ' HG ' ' A' ' 184' ' ' LEU . 39.9 mt -66.99 -52.95 38.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.878 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -57.81 -40.48 80.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 -179.98 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -64.53 -54.85 25.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.828 179.985 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.438 HG23 ' CB ' ' A' ' 124' ' ' ASP . 0.3 OUTLIER -58.99 -31.34 45.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.102 179.993 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.669 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -66.97 -48.82 67.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.981 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.0 t90 -63.08 -40.85 98.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -49.56 74.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.534 ' HA ' HD21 ' A' ' 121' ' ' LEU . 37.9 mt -58.56 -44.14 88.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.079 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 38' ' ' LEU . 88.5 t -60.31 -47.22 93.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.845 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -66.76 -43.52 83.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.47 ' SD ' HD22 ' A' ' 121' ' ' LEU . 9.5 ttt -65.81 -32.04 73.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.468 ' HA ' HD23 ' A' ' 173' ' ' LEU . 6.0 ttt180 -72.13 -50.81 25.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -69.95 -28.98 66.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -53.87 -33.5 56.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.975 179.926 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.465 HD23 ' HE3' ' A' ' 114' ' ' LYS . 28.0 mt -56.42 -36.3 68.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.17 29.84 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 t30 61.79 38.77 14.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 53.75 42.74 68.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -100.75 114.72 28.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.1 m -55.68 -26.79 46.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 -179.836 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.56 -29.35 66.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.802 179.999 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.65 -26.28 37.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 -179.891 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.5 mmm -74.07 -31.08 62.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -118.74 27.82 8.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.945 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -81.82 -65.85 0.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.671 ' OD1' HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -107.09 40.09 1.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.837 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -95.92 26.24 4.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.04 -43.89 1.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.671 HD21 ' OD1' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -91.65 -34.02 14.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.975 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.83 -31.91 29.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.152 179.743 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -55.95 -34.05 65.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -106.01 25.51 10.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -151.12 24.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.743 HD22 HD12 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -103.34 -55.84 2.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 179.944 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.65 21.59 8.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.817 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.743 HD12 HD22 ' A' ' 67' ' ' LEU . 20.3 mt -84.1 159.37 59.85 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 83.53 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.756 2.304 . . . . 0.0 112.348 179.848 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -112.66 160.94 17.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.565 HD11 HG13 ' A' ' 182' ' ' VAL . 12.8 pt -119.75 150.23 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -130.45 42.95 3.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.871 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.12 158.21 23.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -130.57 -42.13 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.09 -31.83 11.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.87 -68.04 0.25 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 99.1 m -142.95 137.79 29.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.778 0.323 . . . . 0.0 110.985 -179.919 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -125.65 130.0 50.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.865 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.17 133.71 56.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.51 -56.92 0.84 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 -179.868 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -130.51 -176.77 14.55 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -61.65 -31.38 71.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -164.4 135.16 4.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -174.06 149.94 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -114.81 93.86 4.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.1 tt -117.03 -30.3 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 179.953 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 47.5 m -65.63 143.7 57.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.836 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.26 94.85 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 mp -125.32 148.35 48.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -101.84 -73.81 0.64 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.859 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.0 mt 71.16 -68.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.872 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.69 -50.04 55.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.9 t -54.91 -52.7 62.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.06 -50.56 66.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 -179.949 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.4 mp -52.37 -45.98 65.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.553 HD22 HD12 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -61.43 -49.24 77.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.913 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -56.11 -56.34 21.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.472 ' HB3' HD22 ' A' ' 176' ' ' LEU . 27.2 m-85 -54.05 -44.91 71.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.847 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -55.02 -50.25 69.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.7 m -62.04 -34.39 76.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.761 ' HB3' HD12 ' A' ' 172' ' ' ILE . 22.2 m-85 -63.98 -64.41 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.1 pp -53.12 -39.83 63.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.572 ' N ' HD12 ' A' ' 103' ' ' LEU . 3.2 tm-20 -66.39 -36.63 83.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 179.982 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.69 ' CE2' HD22 ' A' ' 153' ' ' LEU . 27.6 t80 -65.48 -52.09 55.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.813 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.427 ' HE1' HD11 ' A' ' 110' ' ' LEU . 3.5 ppp? -69.81 -27.26 64.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.856 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -66.73 -32.42 73.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -59.66 -28.69 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -136.73 96.91 3.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.667 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.5 mt -148.53 169.67 19.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -63.76 -176.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.823 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -63.66 -51.36 65.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 179.941 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -72.73 -47.19 49.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.667 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.4 mmtm -55.69 -34.83 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -67.52 -46.16 73.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -59.85 -45.26 92.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.856 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -72.35 -34.38 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 179.916 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.9 -35.63 80.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.778 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -64.9 -50.64 65.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.9 p -64.96 -37.15 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.886 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.534 HD21 ' HA ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER -63.98 -47.58 79.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.871 179.976 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.522 ' HA ' HD13 ' A' ' 103' ' ' LEU . 1.8 tt0 -62.52 -50.51 71.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -54.25 -53.21 56.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.438 ' CB ' HG23 ' A' ' 37' ' ' VAL . 56.1 m-20 -57.74 -41.43 81.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.612 HG22 HD12 ' A' ' 129' ' ' ILE . 89.2 m -60.06 -43.77 95.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 -179.902 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -67.87 -33.29 74.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.407 HG22 HD11 ' A' ' 131' ' ' ILE . 28.0 m -67.86 -56.74 7.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 -179.931 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.582 ' N ' HD21 ' A' ' 33' ' ' LEU . 3.0 pp -61.32 -39.58 91.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.612 HD12 HG22 ' A' ' 125' ' ' THR . 45.5 mt -67.13 -37.79 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -67.66 -40.46 84.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.611 HG21 ' CG1' ' A' ' 30' ' ' VAL . 8.0 mt -66.05 -52.39 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -62.6 -50.03 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.43 -39.93 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -63.09 -50.83 69.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -56.32 -52.18 65.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.4 p -65.69 -28.77 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 180.0 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -69.09 -39.63 78.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.97 -38.79 57.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.809 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.95 -57.94 3.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.882 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -122.37 -169.88 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -99.31 178.88 4.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.481 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.6 146.22 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.145 179.9 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.481 ' N ' HD13 ' A' ' 142' ' ' ILE . 12.1 m -130.54 119.1 45.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.553 HD12 HD22 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -175.91 87.23 0.29 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.93 179.924 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 -48.59 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.713 2.275 . . . . 0.0 112.359 179.82 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 179.4 147.45 0.42 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.685 0.755 . . . . 0.0 111.135 -179.937 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -176.95 1.66 Allowed 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.573 2.182 . . . . 0.0 112.388 179.904 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.8 tt -118.09 -15.02 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.949 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 12.7 m -51.07 -31.17 17.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 150' ' ' ASN . . . . . 0.431 ' O ' HG23 ' A' ' 154' ' ' THR . 0.8 OUTLIER -51.93 -50.86 60.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.988 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.14 90.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.061 179.91 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.91 -64.98 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.69 HD22 ' CE2' ' A' ' 105' ' ' TYR . 8.5 mt -52.74 -52.79 54.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 150' ' ' ASN . 67.5 p -56.44 -32.89 65.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.169 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -71.39 -41.95 69.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.789 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -95.84 103.9 15.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.3 tp -118.34 -54.98 2.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.3 -75.4 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 65.7 m 56.77 35.91 26.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.737 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -154.34 98.99 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 57.88 63.34 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -144.89 116.94 8.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -134.4 29.59 3.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.8 mt -107.28 25.6 11.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.97 -26.85 33.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.68 -26.64 5.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 -179.932 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -69.56 -68.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 179.924 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.0 m -48.37 -45.83 36.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 -179.988 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.2 mm -61.96 -48.28 89.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -62.24 -29.37 70.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.05 -55.27 8.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.761 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.5 pt -59.4 -36.79 66.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.072 -179.966 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 45' ' ' ARG . 1.1 tp -67.35 -53.41 29.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp -54.76 -46.57 74.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.437 ' OG ' HD13 ' A' ' 69' ' ' LEU . 6.3 p -61.34 -50.66 72.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.991 0.424 . . . . 0.0 110.9 -179.882 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.472 HD22 ' HB3' ' A' ' 99' ' ' TYR . 10.1 tp -52.49 -50.65 62.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.943 179.935 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.616 ' CD ' HG22 ' A' ' 42' ' ' VAL . 8.8 tt0 -57.47 -56.84 16.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.39 -29.86 62.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.428 ' HA ' HG12 ' A' ' 182' ' ' VAL . 8.2 t80 -74.88 -35.35 62.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.874 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 177' ' ' GLU . 5.4 mt -70.44 -46.87 63.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -46.43 76.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.957 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.565 HG13 HD11 ' A' ' 72' ' ' ILE . 9.2 p -64.36 -33.99 66.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.136 179.829 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 17.3 m -72.36 -40.99 66.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.478 ' C ' HD13 ' A' ' 184' ' ' LEU . 2.5 tm? -66.98 -40.7 87.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.69 -32.66 60.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.839 179.928 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 28.0 t -67.7 -51.17 52.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.74 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.3 t -55.7 -25.18 38.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.073 -179.972 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -69.21 -38.13 78.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 -179.958 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 41.33 84.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.841 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.225 179.979 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 27.7 m . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -110.56 97.06 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 p -72.33 133.36 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.82 144.0 49.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.819 -179.87 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -143.51 176.37 9.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.62 27.82 18.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 -179.971 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -118.56 92.41 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -126.74 177.38 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.0 t -126.38 -37.7 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 -179.883 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -141.32 -170.5 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -169.14 35.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.9 p -135.43 161.5 35.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.852 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.15 159.58 68.23 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.58 0.705 . . . . 0.0 111.204 179.995 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -171.2 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.721 2.281 . . . . 0.0 112.341 -179.993 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -95.91 -25.65 15.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.23 156.9 73.53 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.718 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 107.05 1.78 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.688 2.259 . . . . 0.0 112.335 -179.944 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.56 ' HB ' HG22 ' A' ' 26' ' ' THR . 21.7 t -94.22 -21.57 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.074 179.975 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 63.46 21.57 12.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.56 HG22 ' HB ' ' A' ' 24' ' ' VAL . 10.0 t -98.21 166.01 11.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.207 179.972 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.25 -34.02 30.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -67.73 -42.26 82.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.808 -179.839 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -50.99 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.0 m -61.87 -39.84 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.02 -52.94 46.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 179.978 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.32 -36.34 93.28 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.515 -179.936 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.678 HD22 ' HB2' ' A' ' 128' ' ' LEU . 10.0 tt -69.54 -36.38 76.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.527 ' O ' HD13 ' A' ' 38' ' ' LEU . 48.7 mt -67.05 -46.58 84.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.852 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.7 t -67.12 -39.18 86.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 179.971 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -63.54 -55.64 22.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 33' ' ' LEU . 10.9 p -60.73 -36.16 69.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.589 HD11 ' CB ' ' A' ' 180' ' ' LEU . 1.7 mp -60.56 -49.09 78.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -64.1 -42.9 96.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 179.841 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.664 ' HB3' HD11 ' A' ' 121' ' ' LEU . 1.3 tm-20 -60.32 -42.83 96.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.462 HD11 HG22 ' A' ' 37' ' ' VAL . 57.6 mt -63.41 -46.84 94.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 38' ' ' LEU . 90.4 t -58.8 -43.18 87.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.172 179.836 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.48 -42.54 67.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.794 -179.964 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.9 ttt -65.74 -31.71 72.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.817 -179.967 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.718 ' HB2' HD23 ' A' ' 173' ' ' LEU . 0.8 OUTLIER -75.67 -51.18 13.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.857 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -28.77 67.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -55.76 -35.39 66.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.921 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.3 mt -54.88 -30.14 57.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.36 32.82 2.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.908 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 57.8 30.13 18.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.5 45.94 95.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.417 179.915 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -90.08 109.16 20.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 m -52.64 -41.16 63.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.803 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.9 -37.93 89.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.4 t -59.04 -26.24 64.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 -179.929 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 40.6 mtp -66.78 -51.77 51.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -97.07 25.95 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -84.17 -52.87 5.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.491 ' OD1' HD21 ' A' ' 62' ' ' LEU . 1.1 t70 -102.83 31.29 4.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.86 25.95 4.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.46 -35.87 3.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 179.911 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.491 HD21 ' OD1' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -102.66 -26.89 13.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.955 179.97 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.5 -32.67 58.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.829 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -55.3 -26.58 41.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.05 25.91 10.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.812 -179.892 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -139.81 25.82 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.2 mt -104.31 -66.83 0.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 58.67 21.93 9.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.872 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 mp -83.97 160.85 57.09 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.528 0.68 . . . . 0.0 110.945 179.889 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 79.51 0.95 Allowed 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.621 2.214 . . . . 0.0 112.338 179.858 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -111.72 161.04 16.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.4 mt -72.5 143.94 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.061 -179.972 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -156.84 32.46 0.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.95 -178.68 5.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.818 -179.885 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -141.44 -177.73 5.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.0 -76.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.51 -148.98 23.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.489 -179.951 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 33.4 m -90.6 -45.19 9.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.899 0.38 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.6 t80 72.17 -69.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.843 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -175.56 57.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 57.48 -177.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 -179.961 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -163.4 -87.73 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.401 -179.996 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -143.03 -55.06 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.923 -179.771 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.92 -37.97 19.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 63.19 44.21 5.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -125.77 43.55 3.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.1 pt -143.32 44.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.103 179.957 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 68.2 m -129.55 83.23 2.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.34 174.18 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.2 mt -102.27 77.21 1.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.856 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.98 174.68 5.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.792 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.0 mt 71.08 -69.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.0 p -53.04 -50.28 64.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.813 -179.937 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 m -58.7 -52.43 65.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.35 -44.32 95.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.946 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.6 mp -59.62 -45.12 92.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.348 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.591 HD13 HD22 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -60.9 -49.09 78.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.919 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -56.8 -55.28 36.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -54.0 -46.15 71.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.955 -179.829 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -55.48 -49.24 73.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.5 m -62.24 -35.44 78.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 -179.863 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.681 ' HB3' HD12 ' A' ' 172' ' ' ILE . 11.6 m-85 -63.59 -63.47 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.906 -179.854 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.6 pp -55.67 -37.19 67.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.515 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.0 OUTLIER -65.89 -38.97 90.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.918 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.769 ' CE1' HG22 ' A' ' 154' ' ' THR . 5.7 t80 -67.12 -52.09 45.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.836 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.567 ' CE ' HD11 ' A' ' 110' ' ' LEU . 4.5 ppp? -67.21 -28.21 67.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.08 -33.74 71.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -62.96 -35.27 79.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.881 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -121.35 93.96 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.931 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.687 HD22 ' HB3' ' A' ' 114' ' ' LYS . 8.4 mt -149.14 170.24 18.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -68.85 -176.32 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.941 179.853 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.95 -51.19 67.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.801 179.915 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -76.02 -43.14 45.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.876 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.687 ' HB3' HD22 ' A' ' 110' ' ' LEU . 21.9 mmtm -55.8 -39.55 71.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 179.842 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -68.3 -46.8 69.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.013 179.747 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.17 -47.55 75.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 179.834 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -38.59 65.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.95 -47.0 75.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.794 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -55.48 -50.2 70.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.44 -40.45 81.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.201 179.951 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.664 HD11 ' HB3' ' A' ' 40' ' ' GLU . 0.5 OUTLIER -60.05 -48.61 81.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.96 179.905 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.1 -36.27 83.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.974 179.887 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -62.45 -54.38 40.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.13 -38.6 86.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.849 179.914 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.492 HG22 HD12 ' A' ' 129' ' ' ILE . 44.5 m -61.18 -49.7 76.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.249 -179.94 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -59.6 -46.92 87.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.507 HG22 HD11 ' A' ' 131' ' ' ILE . 88.4 m -58.08 -55.51 34.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.892 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.779 ' HA ' HD12 ' A' ' 131' ' ' ILE . 0.1 OUTLIER -57.97 -52.24 66.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.961 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.632 ' N ' HD23 ' A' ' 128' ' ' LEU . 61.8 mt -54.15 -35.2 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.161 179.807 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -71.25 -39.15 71.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.874 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.779 HD12 ' HA ' ' A' ' 128' ' ' LEU . 9.4 mt -63.73 -52.35 58.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -64.83 -50.09 68.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -56.65 -40.68 75.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -65.46 -50.54 64.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.447 ' O ' HD13 ' A' ' 139' ' ' LEU . 12.4 tt0 -54.67 -52.12 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.08 -30.63 50.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.078 -179.965 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -63.67 -45.16 91.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -79.23 -30.47 43.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.842 179.836 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 135' ' ' GLU . 1.8 mp -63.78 -52.21 61.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -134.97 -75.23 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.831 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.31 -169.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.412 HD12 ' H ' ' A' ' 143' ' ' VAL . 7.0 tp -174.14 145.09 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 179.923 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.412 ' H ' HD12 ' A' ' 142' ' ' ILE . 6.5 m -148.2 161.39 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.079 179.897 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.591 HD22 HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -179.09 137.5 0.32 Allowed Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.542 0.687 . . . . 0.0 110.911 -179.958 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 -86.25 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.71 2.273 . . . . 0.0 112.364 179.842 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 178.93 147.31 0.39 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.624 0.726 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 135.27 30.1 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.686 2.258 . . . . 0.0 112.352 179.902 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 4.6 pt -118.74 -30.26 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.09 -41.67 62.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.813 -179.894 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -51.74 -49.8 61.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -52.21 -52.88 49.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.854 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.7 mp -54.81 -49.98 69.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.583 HD23 ' CE2' ' A' ' 105' ' ' TYR . 0.4 OUTLIER -52.84 -63.05 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.891 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.769 HG22 ' CE1' ' A' ' 105' ' ' TYR . 43.1 p -51.38 -37.25 47.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.896 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -62.57 -38.83 91.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.09 -72.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.488 HD11 ' HG2' ' A' ' 165' ' ' ARG . 0.4 OUTLIER -174.08 173.57 3.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.901 179.909 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.89 165.36 11.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.97 179.877 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 66.4 m 55.56 36.07 26.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.808 -179.888 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 58.7 -175.61 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 4.2 tttt 61.76 172.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.937 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -150.96 52.0 0.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -141.72 152.08 43.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 59.59 77.92 0.29 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.96 -179.946 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 165' ' ' ARG . . . . . 0.488 ' HG2' HD11 ' A' ' 157' ' ' LEU . 0.0 OUTLIER -74.7 -25.9 59.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.987 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.75 -26.38 5.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -179.895 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.67 -69.03 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.852 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.4 m -48.46 -45.92 37.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 37.8 mm -61.47 -50.94 78.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -61.81 -28.11 69.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -70.65 -55.34 8.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.681 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.3 pt -61.27 -36.4 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.068 -179.967 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.718 HD23 ' HB2' ' A' ' 45' ' ' ARG . 0.9 OUTLIER -67.29 -52.46 40.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.917 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -56.01 -50.26 71.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.839 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.35 -43.4 96.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 -179.82 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.5 tp -55.88 -57.78 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.43 -55.77 25.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -52.95 -45.48 67.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.857 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -56.49 -47.21 79.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.589 ' CB ' HD11 ' A' ' 38' ' ' LEU . 73.2 mt -61.53 -38.57 87.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -61.65 -60.18 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.831 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 6.6 p -56.5 -38.48 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.898 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 78.9 m -59.61 -51.0 71.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 -179.932 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.476 HD22 HD13 ' A' ' 34' ' ' ILE . 6.6 tp -63.97 -36.53 84.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -68.44 -32.18 72.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 11.5 t -74.43 -52.08 13.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 6.1 t -55.65 -28.6 56.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -69.71 -33.96 73.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.964 179.951 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 41.45 85.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 10.0 p . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 -179.927 . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.867 0.365 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -156.29 101.2 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.3 t -80.61 145.9 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.35 136.22 38.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.974 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.03 -179.94 3.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.72 56.62 0.47 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.533 -179.945 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.01 -179.99 7.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.812 0.339 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.3 t80 63.26 160.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 t -124.4 -35.93 2.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 -179.875 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 63.22 162.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -172.26 88.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.1 t -135.2 155.69 50.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 -179.849 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.84 159.61 60.08 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.606 0.717 . . . . 0.0 111.157 179.982 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 177.31 5.7 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.666 2.244 . . . . 0.0 112.334 179.969 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -155.18 47.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 61.31 160.42 0.11 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.573 0.701 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 88.13 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.664 2.243 . . . . 0.0 112.382 179.955 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.5 t -88.75 -16.49 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 61.08 23.04 13.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 -179.901 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -103.84 170.82 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.96 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.64 -36.06 44.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.097 -179.983 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 m -68.46 -43.13 77.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.9 -50.66 70.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.1 m -61.53 -40.65 87.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.669 ' O ' HG23 ' A' ' 35' ' ' THR . . . -61.24 -53.08 47.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.999 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.87 -39.14 97.64 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.498 -179.919 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.629 HD22 HD23 ' A' ' 128' ' ' LEU . 7.8 tt -64.94 -44.72 88.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 110.943 -179.92 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.508 ' CD1' HD23 ' A' ' 184' ' ' LEU . 62.7 mt -61.26 -42.74 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.669 HG23 ' O ' ' A' ' 31' ' ' GLY . 46.4 p -63.97 -46.43 84.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -58.6 -55.48 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.712 HG22 ' CD1' ' A' ' 41' ' ' ILE . 14.7 p -59.88 -35.02 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 -179.967 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 34' ' ' ILE . 1.3 mp -60.28 -48.97 79.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -65.19 -42.6 93.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.875 179.891 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.27 -40.71 98.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.712 ' CD1' HG22 ' A' ' 37' ' ' VAL . 36.9 mt -64.06 -46.83 92.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.958 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.449 HG12 ' HD3' ' A' ' 46' ' ' LYS . 83.1 t -60.49 -45.98 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 179.828 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -42.19 79.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.8 ttt -66.64 -31.81 72.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 179.909 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -74.71 -50.49 17.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.826 -179.854 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.449 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -69.57 -28.8 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.959 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.99 -35.27 61.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 -179.952 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.513 HD12 ' HE3' ' A' ' 114' ' ' LYS . 9.8 mp -58.6 -31.23 67.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.6 m -95.98 32.28 1.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t30 58.27 26.63 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.985 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.7 37.86 85.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 179.901 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -90.73 109.59 20.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.82 -179.819 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.0 t -56.76 -28.15 60.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -68.52 -33.21 73.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.826 -179.99 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.81 -27.05 69.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.907 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.8 mtp -64.34 -49.19 72.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -110.38 32.13 5.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.824 -179.989 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -71.56 -52.23 19.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.632 ' OD2' HD11 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -121.31 26.33 8.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.845 179.984 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -74.06 -26.55 60.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 179.999 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.95 -26.31 35.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.632 HD11 ' OD2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -117.87 -38.77 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.957 -179.976 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.95 -28.45 67.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.094 179.739 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.68 -29.79 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -123.28 31.94 5.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -135.34 26.24 3.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.08 133.09 48.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -26.19 23.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 179.76 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.525 HD23 ' HE1' ' A' ' 99' ' ' TYR . 8.9 mp -64.02 160.69 45.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.634 0.73 . . . . 0.0 110.973 179.841 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.71 139.05 39.45 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.399 179.83 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.79 138.96 23.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.684 HD12 HG23 ' A' ' 182' ' ' VAL . 58.5 mt -91.4 119.09 38.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.964 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -116.97 -42.91 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 179.882 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.85 170.12 8.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -154.47 42.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.804 179.975 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -74.78 -51.74 13.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.846 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.3 164.98 29.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.546 -179.988 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.1 m -58.52 -29.47 66.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.9 t80 72.29 -69.15 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -93.1 174.47 7.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.958 179.957 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.1 m 63.65 94.96 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 -179.921 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 165.7 88.29 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.559 179.956 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -116.49 -72.79 0.67 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.974 0.416 . . . . 0.0 110.95 -179.795 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -73.04 -31.58 64.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.947 179.934 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.71 168.49 15.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -72.08 -51.82 19.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.445 HG22 ' SG ' ' A' ' 88' ' ' CYS . 21.5 mt 66.14 145.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.045 179.942 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.445 ' SG ' HG22 ' A' ' 87' ' ' ILE . 29.0 m 61.12 92.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mt -109.68 170.29 8.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -116.14 164.81 13.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.978 179.821 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.88 97.23 11.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.829 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.466 HG23 ' CE2' ' A' ' 179' ' ' PHE . 65.9 mt -119.3 -35.4 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.156 179.909 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -50.11 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.9 p -54.15 -52.04 62.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.72 -50.91 62.36 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.574 179.953 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.32 -54.0 46.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.48 HD13 HD13 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -54.72 -49.14 71.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.911 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -54.11 -49.88 68.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.525 ' HE1' HD23 ' A' ' 69' ' ' LEU . 22.9 m-85 -56.55 -49.12 75.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.795 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -54.18 -49.25 69.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.3 m -61.86 -36.67 81.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.761 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.788 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.9 m-85 -62.85 -64.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 -179.915 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.555 HD13 ' HA ' ' A' ' 122' ' ' GLN . 2.4 pp -54.01 -38.23 64.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.515 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.2 mt-10 -68.17 -33.74 75.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.727 ' CE1' HG22 ' A' ' 154' ' ' THR . 12.7 t80 -69.21 -52.09 31.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.959 -179.897 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.461 ' HE1' HD11 ' A' ' 110' ' ' LEU . 3.6 ppp? -67.93 -31.54 71.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.889 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.97 -28.42 69.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.824 179.99 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -60.2 -40.13 89.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.946 179.924 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -129.18 99.16 5.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.684 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.2 mt -145.42 177.91 8.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -78.28 -175.84 4.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.855 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -51.5 67.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.809 179.949 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -71.72 -48.61 45.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.862 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.684 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.7 mmtm -55.49 -32.88 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.916 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -67.18 -50.51 60.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.881 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -57.84 -43.15 85.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.5 mmpp? -70.4 -36.58 74.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.951 179.885 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.92 82.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -49.77 75.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 4.5 p -69.72 -31.61 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 -179.991 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -52.55 35.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.555 ' HA ' HD13 ' A' ' 103' ' ' LEU . 1.1 pp0? -66.18 -33.78 76.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.2 mtp85 -66.6 -53.09 38.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.619 ' O ' HD21 ' A' ' 33' ' ' LEU . 27.0 m-20 -58.16 -54.54 45.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.89 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.1 m -56.72 -44.69 81.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 -179.905 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -53.94 -53.64 50.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.949 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.565 HG22 HD11 ' A' ' 131' ' ' ILE . 98.5 m -60.91 -36.4 79.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 -179.964 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.629 HD23 HD22 ' A' ' 33' ' ' LEU . 1.1 tm? -64.29 -51.99 60.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 30.4 mt -59.54 -37.21 69.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -65.42 -45.49 83.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.88 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.565 HD11 HG22 ' A' ' 127' ' ' THR . 19.0 mt -62.55 -53.07 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.943 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -58.62 -49.98 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -57.7 -41.56 81.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -66.3 -36.73 83.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 179.957 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.58 -52.05 43.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.97 -35.71 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.08 -179.982 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -68.94 -40.26 79.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -78.34 -26.01 46.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 179.944 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.0 tp -77.69 -50.51 12.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -135.06 -74.78 0.46 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.804 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -179.06 -176.18 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.4 tp -166.76 141.61 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 13.8 m -140.39 158.45 25.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.842 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.48 HD13 HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -178.89 137.38 0.33 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.508 0.67 . . . . 0.0 111.001 -179.979 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.61 -85.64 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.72 2.28 . . . . 0.0 112.421 179.814 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 179.53 147.62 0.43 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.718 . . . . 0.0 111.146 -179.97 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.88 132.39 23.05 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 179.946 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 16.8 tt -116.45 -23.95 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.941 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.05 -38.77 58.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -51.37 -47.02 62.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.721 -179.908 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.69 -55.1 36.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 179.935 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.7 mp -51.76 -51.36 56.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.613 HD11 HG21 ' A' ' 168' ' ' THR . 3.9 mm? -53.57 -64.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 179.903 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.727 HG22 ' CE1' ' A' ' 105' ' ' TYR . 73.2 p -51.7 -32.9 31.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.042 -179.989 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -55.34 -32.47 62.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.15 107.09 15.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.85 109.84 1.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -156.07 -58.98 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 14.6 p -122.51 159.42 27.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.846 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -134.61 94.75 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.826 -179.859 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -144.44 31.84 1.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 18.8 pm0 44.79 -167.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.781 179.987 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 61.48 35.21 17.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.39 -62.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 165' ' ' ARG . . . . . 0.437 ' O ' HD13 ' A' ' 169' ' ' ILE . 10.7 mtp180 -71.76 -26.72 62.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 1.8 m -50.61 -27.6 7.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.187 -179.895 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -69.61 -69.39 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 168' ' ' THR . . . . . 0.613 HG21 HD11 ' A' ' 153' ' ' LEU . 97.3 m -49.25 -34.25 14.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.889 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.499 HG21 HD21 ' A' ' 48' ' ' LEU . 1.6 mp -68.09 -52.37 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 170' ' ' GLN . . . . . 0.408 ' N ' HG22 ' A' ' 169' ' ' ILE . 4.2 pt20 -65.0 -25.23 67.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -54.11 9.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.788 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.6 pt -63.65 -36.52 76.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.433 HD12 HG23 ' A' ' 41' ' ' ILE . 3.1 mm? -67.8 -53.79 24.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 179.866 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -56.64 -46.15 81.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.942 179.82 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 35.8 m -61.75 -46.74 88.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.5 tp -55.17 -54.6 41.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -55.77 -55.59 30.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -52.83 -46.54 67.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.466 ' CE2' HG23 ' A' ' 92' ' ' ILE . 37.8 t80 -61.8 -40.75 96.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.891 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.448 ' HB3' HD11 ' A' ' 38' ' ' LEU . 24.6 mt -62.45 -38.32 89.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 12.5 mtpp -68.96 -57.38 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.863 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 182' ' ' VAL . . . . . 0.684 HG23 HD12 ' A' ' 72' ' ' ILE . 27.4 m -54.73 -36.11 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.846 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.578 ' O ' HG22 ' A' ' 187' ' ' THR . 93.0 m -69.41 -56.94 6.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 -179.92 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.508 HD23 ' CD1' ' A' ' 34' ' ' ILE . 2.7 tm? -52.37 -37.11 55.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.952 179.973 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -76.5 -53.94 7.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.877 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 9.6 t -52.78 -52.06 58.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 183' ' ' THR . 14.6 t -62.25 -24.82 67.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 -179.928 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 25.8 mtp85 -83.65 149.86 26.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.81 -179.903 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -179.32 101.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.058 -179.824 . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.807 0.337 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -94.18 89.4 5.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.7 p -56.82 147.68 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.24 117.53 30.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -114.07 179.92 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.885 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.11 51.96 0.8 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.549 -179.933 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -112.74 165.01 12.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.828 0.347 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.5 -171.0 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.4 t -119.44 -31.02 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 -179.874 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -129.15 152.39 48.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -176.74 49.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.0 p -76.24 157.91 32.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 -179.867 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.99 159.51 68.21 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.537 0.684 . . . . 0.0 111.185 -179.892 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -171.49 0.47 Allowed 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 179.936 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -97.79 26.28 5.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -120.27 73.74 21.11 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.545 0.688 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 125.67 12.43 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.698 2.265 . . . . 0.0 112.286 -179.983 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.2 m -103.92 -13.86 8.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 63.49 42.72 6.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.912 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.0 p -101.23 164.75 11.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.195 -179.968 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.2 p -51.79 -46.42 64.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -51.49 56.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 -179.777 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -40.62 92.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.94 -54.11 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 179.949 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.2 -52.24 50.74 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.494 179.922 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.77 -40.39 94.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.509 -179.894 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.728 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.0 OUTLIER -66.72 -37.36 84.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.793 0.33 . . . . 0.0 110.932 -179.938 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.671 HG21 ' CD2' ' A' ' 184' ' ' LEU . 15.0 mm -63.99 -52.28 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.167 179.878 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.8 t -62.21 -39.65 93.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -66.4 -55.6 15.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.434 HG22 HD11 ' A' ' 41' ' ' ILE . 8.7 p -60.77 -32.42 51.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.997 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.618 ' O ' HG23 ' A' ' 42' ' ' VAL . 15.2 mt -66.81 -48.42 69.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -62.88 -42.3 99.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 179.852 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -60.96 -50.55 72.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.515 HG23 HD12 ' A' ' 173' ' ' LEU . 47.7 mt -57.32 -48.64 82.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.097 -179.975 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.629 HG12 ' HE3' ' A' ' 46' ' ' LYS . 95.8 t -55.07 -58.64 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.055 179.913 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -53.28 -40.07 64.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.458 ' O ' HD13 ' A' ' 48' ' ' LEU . 2.7 ttp -67.19 -32.19 73.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.1 ttp85 -71.01 -51.21 26.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.876 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.629 ' HE3' HG12 ' A' ' 42' ' ' VAL . 5.9 ptpt -71.01 -28.71 64.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.99 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -54.94 -40.94 70.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.916 HD23 HG22 ' A' ' 166' ' ' THR . 8.7 mp -53.85 -28.44 35.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.987 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 91.8 m -98.94 34.94 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.15 27.66 16.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.99 37.1 73.64 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -95.84 104.54 16.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.83 0.348 . . . . 0.0 110.955 -179.933 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 p -56.4 -26.77 54.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.853 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -65.31 -33.75 76.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 -179.969 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.89 -28.94 66.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.3 mmm -72.92 -31.48 64.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -110.48 26.39 10.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -102.31 -50.94 3.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -104.52 30.21 5.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 179.903 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.02 28.03 3.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.38 -32.41 4.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.82 -26.03 10.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.01 -30.34 64.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.783 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -55.91 -25.84 44.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -111.1 26.97 10.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -136.5 25.36 3.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.95 179.931 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.673 HD11 ' HE2' ' A' ' 174' ' ' LYS . 2.0 mt -120.95 -71.45 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.0 179.888 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 58.23 23.43 10.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.797 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.71 160.39 66.92 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.67 0.748 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 100.48 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.262 . . . . 0.0 112.363 179.83 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -147.6 147.99 30.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.468 HG23 HD11 ' A' ' 90' ' ' LEU . 2.6 mp -57.82 139.34 17.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.976 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -107.96 -70.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.92 -65.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.815 -179.923 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 56.29 90.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -86.3 143.31 27.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.05 95.94 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.932 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.17 -45.13 7.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.33 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -108.43 -30.21 8.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 -179.873 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.37 168.8 2.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.845 -179.974 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.3 m 62.91 86.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 -179.93 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -96.92 85.02 0.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.504 179.917 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -156.26 -58.78 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.0 0.429 . . . . 0.0 110.969 -179.823 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -93.43 -36.49 12.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 54.6 81.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -95.26 -29.35 14.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 24.9 mt 65.45 151.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 77.7 m -67.67 -60.2 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.877 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 61.3 93.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.958 179.986 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.468 HD11 HG23 ' A' ' 72' ' ' ILE . 4.3 mm? -111.3 154.03 25.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -94.29 -73.14 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.993 179.76 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.2 mt 71.05 -68.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 63.5 p -50.34 -39.25 45.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.962 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.7 m -53.88 -52.47 60.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.83 -44.73 95.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -180.0 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.498 HD22 HG12 ' A' ' 129' ' ' ILE . 55.4 mt -51.83 -54.18 31.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -49.41 77.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -52.99 -51.54 61.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.418 ' CD2' HD13 ' A' ' 176' ' ' LEU . 22.2 m-85 -60.21 -43.15 96.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.823 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -53.78 -50.38 66.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.796 179.959 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.6 p -66.14 -38.83 89.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.749 -179.683 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.476 ' HB3' HD12 ' A' ' 172' ' ' ILE . 9.2 m-85 -57.41 -64.01 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.831 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.2 pp -55.77 -45.44 78.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.518 ' N ' HD12 ' A' ' 103' ' ' LEU . 3.0 mm-40 -56.53 -33.58 66.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.624 ' CE2' HD23 ' A' ' 153' ' ' LEU . 2.3 t80 -72.89 -52.32 15.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.915 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.4 ptm -62.92 -29.43 70.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.746 ' HZ2' ' HB1' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -50.42 -52.75 34.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 179.885 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.47 -19.31 46.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -124.86 78.99 1.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.794 HD22 ' HB3' ' A' ' 114' ' ' LYS . 11.2 mt -149.82 163.21 38.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -77.34 -177.06 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 179.905 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -51.2 69.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.779 179.974 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -69.59 -48.75 59.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.794 ' HB3' HD22 ' A' ' 110' ' ' LEU . 10.0 mmtm -55.92 -42.99 76.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -58.62 -48.08 82.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.845 179.881 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -50.27 73.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.924 179.824 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -63.5 -43.86 96.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.746 ' HB1' ' HZ2' ' A' ' 107' ' ' LYS . . . -54.88 -44.49 74.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 179.856 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -52.99 -49.46 66.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.56 -40.78 89.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.989 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.513 HD11 ' N ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER -62.75 -50.08 72.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.994 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.484 ' HB2' HD13 ' A' ' 103' ' ' LEU . 2.3 tm0? -57.87 -51.15 70.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.975 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -53.54 -53.61 49.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -57.32 -44.41 84.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.403 ' HA ' HD23 ' A' ' 128' ' ' LEU . 24.6 m -61.41 -45.92 92.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.885 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -60.79 -35.89 77.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.952 179.963 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.438 ' O ' HD12 ' A' ' 131' ' ' ILE . 61.4 m -67.81 -56.73 8.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.178 -179.941 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.728 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -58.21 -34.17 70.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 179.989 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.498 HG12 HD22 ' A' ' 96' ' ' LEU . 50.2 mt -71.57 -41.32 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.17 179.928 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -62.17 -44.27 96.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.801 179.838 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 127' ' ' THR . 5.8 mt -67.27 -53.47 32.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.177 179.986 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.576 ' O ' HG23 ' A' ' 136' ' ' VAL . 5.1 m-85 -59.2 -50.1 75.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -60.84 -38.1 84.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -59.7 -55.16 37.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -62.1 -52.19 64.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 132' ' ' PHE . 86.3 t -55.35 -44.12 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 -179.989 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -63.27 -40.96 98.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 179.867 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -67.41 -28.68 68.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.797 179.891 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -4.76 42.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 11.3 t60 67.43 37.16 3.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.798 179.865 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -138.5 64.59 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.03 143.84 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 28.9 m -123.33 170.04 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.483 HD12 ' OG1' ' A' ' 146' ' ' THR . 0.1 OUTLIER -128.13 91.61 44.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.607 0.718 . . . . 0.0 110.936 179.989 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -44.52 2.03 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.684 2.256 . . . . 0.0 112.327 179.896 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.483 ' OG1' HD12 ' A' ' 144' ' ' LEU . 1.1 m 65.69 81.81 0.21 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.599 0.714 . . . . 0.0 111.052 179.99 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 152.89 69.39 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.831 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 21.0 tt -119.28 -12.21 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 179.921 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.15 -47.41 45.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -52.83 -45.01 67.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.44 -48.67 76.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.098 179.843 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.82 -47.86 81.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.624 HD23 ' CE2' ' A' ' 105' ' ' TYR . 1.2 mp -56.87 -63.36 1.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -32.0 51.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.074 179.904 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.74 -40.35 54.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -179.19 -48.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 179.912 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 157' ' ' LEU . . . . . 0.558 HD22 ' HG ' ' A' ' 153' ' ' LEU . 22.5 tp 62.48 162.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -53.21 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 14.5 m 51.1 31.03 6.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.83 103.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.881 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.6 mttp 63.03 162.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 51.89 86.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 8.4 m-90 62.17 102.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -71.0 170.78 12.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -51.73 -40.58 60.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 -179.976 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 166' ' ' THR . . . . . 0.916 HG22 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -53.78 -26.53 24.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 -179.977 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -69.46 -69.58 0.33 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 179.882 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 89.3 m -49.03 -44.37 41.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 -179.987 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.53 -45.59 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -63.45 -31.23 72.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -70.81 -55.49 8.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.903 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.476 HD12 ' HB3' ' A' ' 102' ' ' TYR . 13.4 pt -58.68 -39.1 75.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.515 HD12 HG23 ' A' ' 41' ' ' ILE . 3.5 mm? -66.87 -48.9 67.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.926 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.673 ' HE2' HD11 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -56.36 -47.39 78.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 179.846 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.73 -43.36 99.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.418 HD13 ' CD2' ' A' ' 99' ' ' TYR . 23.6 tp -56.07 -50.02 72.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 177' ' ' GLU . . . . . 0.482 ' CD ' HG22 ' A' ' 42' ' ' VAL . 1.6 tt0 -61.09 -56.84 16.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.966 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -47.51 67.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -55.98 -49.48 73.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 3.0 mp -54.78 -52.46 62.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -52.74 -54.12 38.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.812 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 66.4 t -60.42 -39.02 79.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 92.7 m -58.14 -43.47 87.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.671 ' CD2' HG21 ' A' ' 34' ' ' ILE . 2.3 tp -69.29 -54.52 14.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.907 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -20.72 59.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.2 m -82.21 -47.95 11.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 184' ' ' LEU . 9.8 t -66.4 -26.69 67.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.15 -179.921 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -69.79 -36.57 75.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 41.45 84.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.253 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.8 0.333 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 63.64 25.11 14.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -105.64 167.13 9.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.71 -34.88 40.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.3 p -68.74 -45.38 71.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -60.72 -51.37 69.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 31' ' ' GLY . 19.1 m -61.17 -43.24 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.419 ' N ' HG23 ' A' ' 30' ' ' VAL . . . -57.89 -52.22 53.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.67 -37.67 95.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.391 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.614 HD21 ' O ' ' A' ' 124' ' ' ASP . 1.2 tt -67.34 -34.76 78.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 110.971 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.667 HG21 ' HG ' ' A' ' 184' ' ' LEU . 17.5 mm -69.6 -49.22 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 t -63.37 -39.54 94.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -65.79 -55.65 16.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.479 HG22 HD11 ' A' ' 41' ' ' ILE . 9.2 p -60.22 -32.74 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.606 ' O ' HG23 ' A' ' 42' ' ' VAL . 12.3 mt -66.28 -48.96 68.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -62.06 -43.58 98.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.457 ' HB3' HD11 ' A' ' 121' ' ' LEU . 0.7 OUTLIER -60.92 -47.85 84.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.479 HD11 HG22 ' A' ' 37' ' ' VAL . 43.6 mt -57.98 -46.49 87.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 38' ' ' LEU . 88.6 t -57.94 -54.57 30.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.13 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -59.52 -44.7 93.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.5 ttt -63.76 -31.63 72.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -51.23 34.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.809 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.2 pttt -70.66 -28.21 64.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.77 -37.64 66.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.561 HD12 ' HE3' ' A' ' 114' ' ' LYS . 9.4 mp -53.98 -32.16 53.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.0 m -95.93 32.23 1.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 t30 60.66 26.19 15.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.71 42.89 97.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -95.12 113.89 25.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.6 p -55.61 -27.09 47.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.39 -40.95 89.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.84 -38.8 92.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 65.3 mtp -58.98 -33.38 70.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -117.72 28.81 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -83.05 -62.17 1.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.56 28.84 5.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -96.36 31.91 2.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.78 -30.55 5.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.0 -38.8 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.05 -36.33 60.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.081 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -56.19 -26.25 50.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -124.45 38.91 4.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -155.71 32.28 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.7 141.69 28.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -79.94 -25.95 40.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mt -80.17 154.89 74.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.526 0.679 . . . . 0.0 110.949 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo . . . . . 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.343 179.862 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.733 0.302 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.3 mt -111.65 -31.07 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 41.6 m -59.97 -41.34 91.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.7 t -60.45 -51.96 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.41 -52.65 50.42 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.924 HD12 HD11 ' A' ' 129' ' ' ILE . 1.0 OUTLIER -63.26 -34.24 77.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.2 tp -65.03 -49.32 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.973 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -62.01 -52.16 65.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.662 ' HB3' HD13 ' A' ' 176' ' ' LEU . 21.0 m-85 -56.02 -44.6 78.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.448 ' HA ' HD21 ' A' ' 103' ' ' LEU . 37.9 t-80 -61.62 -41.93 98.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.7 -29.04 67.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.799 ' HB3' HD12 ' A' ' 172' ' ' ILE . 14.3 m-85 -72.37 -54.42 9.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.2 pp -61.91 -43.41 98.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.548 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.5 pp20? -67.44 -32.9 74.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.646 ' CE1' HG22 ' A' ' 154' ' ' THR . 12.1 t80 -66.87 -51.27 57.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.414 ' SD ' HG23 ' A' ' 169' ' ' ILE . 4.2 ptt? -73.25 -26.03 60.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.818 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.63 ' HA ' HD12 ' A' ' 110' ' ' LEU . 4.0 tmtt? -55.91 -41.29 74.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -59.7 -37.65 79.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -109.7 74.24 0.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.653 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.7 mt -142.02 177.97 7.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.961 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -78.17 -175.94 4.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.24 -51.28 66.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -69.37 -48.49 61.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.653 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.9 mmtm -55.87 -39.41 71.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.795 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -69.08 -45.2 70.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.45 -49.91 71.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -38.6 71.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.74 -44.74 73.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.183 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.49 -49.85 71.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.61 -41.13 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.457 HD11 ' HB3' ' A' ' 40' ' ' GLU . 2.8 mp -58.62 -50.07 75.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.06 -47.76 84.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -53.85 -53.28 54.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.614 ' O ' HD21 ' A' ' 33' ' ' LEU . 6.9 m-20 -56.35 -49.39 74.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.619 HG22 ' CD1' ' A' ' 129' ' ' ILE . 5.8 m -54.06 -50.42 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.14 -33.65 73.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.461 ' O ' HD12 ' A' ' 131' ' ' ILE . 15.2 m -64.73 -56.4 13.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -32.2 72.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.924 HD11 HD12 ' A' ' 96' ' ' LEU . 63.4 mt -71.39 -36.96 63.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -44.54 68.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.871 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.461 HD12 ' O ' ' A' ' 127' ' ' THR . 6.5 mt -66.65 -47.49 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -62.82 -50.03 72.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -59.94 -40.86 90.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -63.0 -47.53 82.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.25 -52.28 66.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.9 p -65.67 -29.13 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.07 -41.39 77.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.987 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -74.25 -40.0 62.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 37.4 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.888 0.375 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -51.18 -47.21 62.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.68 -54.73 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.166 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.0 mp -51.71 -51.44 56.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.59 -64.95 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.646 HG22 ' CE1' ' A' ' 105' ' ' TYR . 61.5 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.876 0.369 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -29.12 70.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -26.61 5.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -69.48 -68.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.7 m -48.59 -45.19 37.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.414 HG23 ' SD ' ' A' ' 106' ' ' MET . 38.6 mm -62.67 -46.49 96.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -62.44 -32.15 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -55.06 10.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.799 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.5 pt -60.45 -36.0 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.37 -52.06 44.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -56.6 -47.07 80.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 14.6 p -61.73 -46.58 89.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.662 HD13 ' HB3' ' A' ' 99' ' ' TYR . 5.6 tp -54.75 -57.95 9.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . 0.407 ' OE2' HD22 ' A' ' 38' ' ' LEU . 2.5 tm-20 -54.7 -52.81 61.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.578 ' O ' HG23 ' A' ' 182' ' ' VAL . 59.5 mm-40 -53.39 -50.17 65.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.48 -32.85 71.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.602 ' HB3' HD21 ' A' ' 38' ' ' LEU . 6.0 mt -66.24 -61.38 2.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.23 -46.18 69.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 178' ' ' GLU . 91.2 t -59.18 -52.77 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 82.6 m -53.43 -44.01 68.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.192 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.667 ' HG ' HG21 ' A' ' 34' ' ' ILE . 3.3 tm? -61.2 -52.16 65.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -58.69 -37.01 75.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 3.1 t -64.7 -51.44 62.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 11.7 t -68.66 -24.92 64.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.116 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.414 ' HB ' HG22 ' A' ' 26' ' ' THR . 41.2 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.906 0.384 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 62.28 23.79 14.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.98 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 30' ' ' VAL . 15.1 t -107.2 171.57 7.31 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.179 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.8 p -51.57 -43.8 62.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.156 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.9 -51.53 69.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.842 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.527 HE21 HD13 ' A' ' 33' ' ' LEU . 13.2 tm0? -61.48 -39.8 92.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 26' ' ' THR . 82.3 t -63.22 -54.14 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.696 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.1 -52.09 51.5 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.79 -37.25 93.99 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.527 HD13 HE21 ' A' ' 29' ' ' GLN . 0.6 OUTLIER -66.38 -46.9 75.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.736 0.303 . . . . 0.0 110.912 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.716 HG23 HD22 ' A' ' 180' ' ' LEU . 96.2 mt -61.27 -41.04 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 31' ' ' GLY . 69.0 p -64.51 -47.56 78.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.232 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -61.19 -55.15 35.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.568 HG22 HD11 ' A' ' 41' ' ' ILE . 8.3 p -59.25 -33.89 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.574 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.4 mt -63.89 -48.7 75.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -63.31 -42.18 98.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -45.18 95.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.568 HD11 HG22 ' A' ' 37' ' ' VAL . 29.1 mt -61.78 -46.99 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 38' ' ' LEU . 89.6 t -58.26 -44.83 88.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.68 -42.1 82.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -32.1 73.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -73.91 -50.34 20.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.442 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -69.82 -28.93 66.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -53.96 -33.81 57.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.41 -28.64 69.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.66 28.96 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.42 31.83 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.783 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 59.96 40.21 96.63 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.526 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -87.69 111.81 21.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 77.2 p -61.11 -27.22 68.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.983 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.53 -27.53 58.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 10.3 t -64.46 -34.66 78.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.5 mtp -56.95 -48.05 79.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -102.17 28.23 6.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -79.54 -56.32 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -114.22 26.97 9.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.941 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -96.35 30.35 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.76 -27.58 8.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.45 -36.38 2.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.63 -40.46 79.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -53.12 -29.68 32.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -112.17 33.39 4.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -154.96 29.98 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.82 134.01 34.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -25.77 65.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.91 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.424 HD22 ' OE1' ' A' ' 98' ' ' GLU . 1.7 mt -79.93 154.89 75.47 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.608 0.718 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.445 179.789 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.0 mttt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.741 0.305 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.3 mt -104.97 -27.13 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.162 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.9 p -65.62 -45.16 84.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 m -53.97 -52.37 60.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.73 -51.2 57.59 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.482 HD13 ' HE2' ' A' ' 179' ' ' PHE . 0.8 OUTLIER -55.08 -49.76 70.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.799 0.333 . . . . 0.0 110.892 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 97' ' ' LEU . 3.4 mm? -57.56 -49.17 77.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.424 ' OE1' HD22 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -54.2 -49.05 70.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.673 ' HB3' HD13 ' A' ' 176' ' ' LEU . 24.0 m-85 -57.89 -48.53 79.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -54.22 -48.16 71.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t -63.12 -37.5 87.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.829 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.819 ' HB3' HD12 ' A' ' 172' ' ' ILE . 11.0 m-85 -61.17 -63.13 1.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.514 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.1 pp -55.8 -39.36 71.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.514 ' N ' HD12 ' A' ' 103' ' ' LEU . 7.9 mt-10 -63.58 -37.27 86.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.742 ' CE2' HD22 ' A' ' 153' ' ' LEU . 33.9 t80 -69.18 -45.69 69.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.996 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.46 ' HG2' HD11 ' A' ' 110' ' ' LEU . 3.5 ttp -66.17 -34.65 78.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.902 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -62.63 -25.91 68.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.98 -38.59 83.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.951 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -131.62 99.36 4.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.605 HD22 ' CB ' ' A' ' 114' ' ' LYS . 8.1 mt -149.11 175.79 11.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.06 -176.37 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -61.97 -51.11 69.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -71.08 -48.28 53.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.605 ' CB ' HD22 ' A' ' 110' ' ' LEU . 15.2 mmtm -55.91 -35.74 66.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -68.42 -52.98 26.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -46.26 68.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -71.25 -40.0 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.88 -43.39 73.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.053 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -55.67 -49.69 72.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.54 -43.23 96.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -47.46 84.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.43 ' HA ' HD13 ' A' ' 103' ' ' LEU . 39.9 tt0 -60.91 -49.58 76.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -53.72 -53.26 54.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -55.53 -49.36 72.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.583 HG22 HD12 ' A' ' 129' ' ' ILE . 22.2 m -54.68 -45.94 74.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -66.63 -30.24 70.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.503 ' O ' HD12 ' A' ' 131' ' ' ILE . 9.4 m -70.46 -56.66 6.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.138 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.601 HD22 HD21 ' A' ' 180' ' ' LEU . 2.2 pp -60.78 -37.78 83.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.583 HD12 HG22 ' A' ' 125' ' ' THR . 76.3 mt -70.57 -39.26 75.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.1 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -42.85 96.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.503 HD12 ' O ' ' A' ' 127' ' ' THR . 7.0 mt -68.28 -49.78 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.181 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.567 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.6 m-85 -62.58 -48.98 77.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -62.1 -39.71 93.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -60.98 -54.14 48.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.84 -51.96 67.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 132' ' ' PHE . 94.1 t -58.89 -35.33 55.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -69.12 -39.55 78.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.0 -33.11 70.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.818 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 18.1 tp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 16.2 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.882 0.372 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 154' ' ' THR . 4.2 t30 -51.26 -51.02 57.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.45 -36.59 80.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 51.7 mt -61.27 -64.73 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.742 HD22 ' CE2' ' A' ' 105' ' ' TYR . 4.3 mt -53.49 -50.68 64.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 150' ' ' ASN . 67.7 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.857 0.361 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -29.26 68.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.71 -26.64 2.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -69.48 -68.26 0.42 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.5 m -48.49 -36.47 15.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.185 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 34.0 mm -67.62 -52.59 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -25.6 68.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -55.14 7.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.819 HD12 ' HB3' ' A' ' 102' ' ' TYR . 16.8 pt -63.13 -36.71 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.216 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.65 -52.53 37.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -56.99 -46.22 82.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.34 -47.35 86.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.673 HD13 ' HB3' ' A' ' 99' ' ' TYR . 10.8 tp -54.56 -53.3 56.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.68 -54.8 41.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -52.76 -43.06 65.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.482 ' HE2' HD13 ' A' ' 96' ' ' LEU . 32.0 t80 -61.82 -51.07 69.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.716 HD22 HG23 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -56.67 -35.75 68.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -67.6 -60.86 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 10.3 p -56.68 -33.24 39.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 93.8 m -67.65 -57.44 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.548 HD23 ' CD1' ' A' ' 34' ' ' ILE . 3.1 tm? -56.07 -37.35 69.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -67.05 -48.96 66.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -52.04 67.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.774 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.0 t -61.11 -24.88 66.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.409 ' O ' HG12 ' A' ' 24' ' ' VAL . 19.2 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.859 0.361 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 63.66 50.84 2.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.965 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.556 HG23 ' H ' ' A' ' 29' ' ' GLN . 2.1 t -108.61 159.18 16.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -51.12 -49.28 61.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.7 m -52.29 -51.44 58.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.556 ' H ' HG23 ' A' ' 26' ' ' THR . 9.0 tp60 -60.46 -38.87 85.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 26' ' ' THR . 89.2 t -62.99 -54.41 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.102 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.723 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.48 -52.22 51.5 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.501 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.11 -44.16 94.88 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.44 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.608 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.8 OUTLIER -63.45 -49.45 73.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 -179.876 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.535 ' O ' HD23 ' A' ' 38' ' ' LEU . 15.9 mm -53.91 -44.34 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.073 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 31' ' ' GLY . 30.9 p -65.43 -43.0 91.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -59.15 -55.39 35.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.701 HG22 HD11 ' A' ' 41' ' ' ILE . 8.5 p -60.24 -36.37 68.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.9 OUTLIER -59.93 -48.42 81.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.983 179.889 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -64.94 -44.5 89.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.977 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -44.91 91.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.701 HD11 HG22 ' A' ' 37' ' ' VAL . 39.0 mt -63.11 -47.35 92.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 38' ' ' LEU . 94.6 t -56.15 -45.72 80.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -42.78 91.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.7 ttt -66.64 -32.07 73.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.52 -51.27 24.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.805 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -28.64 67.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.9 -37.37 63.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.3 mt -56.04 -26.19 48.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.06 30.33 4.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 63.08 34.76 13.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.42 45.83 95.48 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.478 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -100.66 118.5 36.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.1 t -67.61 -35.88 79.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -30.49 71.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.831 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.1 t -61.57 -27.61 68.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.7 mtt -62.01 -48.45 80.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -102.6 30.77 4.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -90.43 -63.91 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.59 23.63 13.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -102.5 27.36 6.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.06 -30.74 14.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.26 -30.89 5.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.61 -41.24 66.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.045 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -53.71 -31.28 47.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -107.46 27.24 9.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -134.27 26.12 3.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.89 HD23 HD21 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -100.06 126.52 46.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.96 -29.91 28.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.89 HD21 HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -63.77 156.37 72.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.933 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.134 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.818 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.757 0.313 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 67.8 mt -92.51 -25.08 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.465 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -71.07 -41.81 70.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -52.4 60.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.77 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.69 -48.34 73.68 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.99 -50.18 69.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.865 0.364 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 93' ' ' SER . 4.0 mm? -60.67 -49.23 78.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -55.27 -49.94 70.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -57.46 -49.9 74.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.513 ' HA ' HD21 ' A' ' 103' ' ' LEU . 35.6 t-80 -54.22 -44.44 71.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.801 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.3 t -63.82 -41.43 97.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.428 ' HB3' HD12 ' A' ' 172' ' ' ILE . 20.1 m-85 -61.82 -64.01 1.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.982 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' A' ' 100' ' ' HIS . 2.3 pp -51.77 -41.64 61.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.495 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -62.65 -39.68 94.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.653 ' CE1' HG22 ' A' ' 154' ' ' THR . 21.5 t80 -64.59 -52.03 59.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.532 ' HE2' HD11 ' A' ' 110' ' ' LEU . 19.6 ptm -65.71 -35.95 82.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.826 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -53.18 -31.4 42.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -63.67 -38.38 90.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -123.07 95.11 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 114' ' ' LYS . 11.1 mt -148.23 168.42 22.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -176.02 0.6 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -62.28 -51.16 68.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.788 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -72.28 -48.01 45.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.577 ' HB3' HD22 ' A' ' 110' ' ' LEU . 8.2 mttt -55.7 -33.35 64.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -53.3 24.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -54.71 -43.85 72.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -73.7 -32.8 64.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.62 -46.46 90.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -55.61 -49.58 72.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.99 -44.11 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.157 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.4 mp -58.67 -49.04 79.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.5 -50.06 75.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.962 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -53.99 -53.06 58.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.94 -45.15 74.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.511 HG22 HD12 ' A' ' 129' ' ' ILE . 10.2 m -56.84 -51.1 70.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -63.95 -28.83 70.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.53 ' HB ' HD11 ' A' ' 33' ' ' LEU . 33.4 m -71.27 -56.45 6.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.608 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.6 pp -61.22 -35.97 78.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.511 HD12 HG22 ' A' ' 125' ' ' THR . 88.1 mt -70.86 -42.58 77.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -63.63 -40.64 97.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 13.7 mt -68.31 -52.08 41.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.187 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.508 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.5 m-85 -62.03 -45.29 94.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.06 -39.59 94.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -62.31 -51.8 66.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.49 -52.08 67.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.814 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 132' ' ' PHE . 94.0 t -60.91 -35.93 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -42.02 91.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -70.46 -35.26 73.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.748 ' O ' HD12 ' A' ' 153' ' ' LEU . 3.6 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.94 0.4 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -50.71 -40.91 55.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -64.38 -35.31 80.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.5 mp -68.61 -51.7 39.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 149' ' ' SER . 1.5 mp -58.76 -51.04 71.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.653 HG22 ' CE1' ' A' ' 105' ' ' TYR . 66.5 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 23.5 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.855 0.359 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 4.5 ttt-85 -68.4 -29.45 68.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.4 -26.78 5.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -69.23 -68.76 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.6 m -48.45 -44.93 35.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 37.9 mm -62.78 -45.3 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -62.28 -32.6 73.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.07 -55.12 10.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.428 HD12 ' HB3' ' A' ' 102' ' ' TYR . 23.0 pt -59.41 -35.93 61.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.79 -54.5 18.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -59.8 -49.05 79.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.588 ' CB ' HD11 ' A' ' 69' ' ' LEU . 51.9 p -59.74 -43.87 94.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.47 HD11 HD11 ' A' ' 180' ' ' LEU . 9.5 tp -58.21 -58.02 10.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . 0.677 ' HA ' HD12 ' A' ' 180' ' ' LEU . 0.0 OUTLIER -53.14 -50.98 63.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.794 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.578 ' O ' HG23 ' A' ' 182' ' ' VAL . 80.4 mt-10 -57.59 -49.97 74.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -59.19 -32.9 70.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 177' ' ' GLU . 15.3 mt -67.93 -61.93 1.64 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -51.57 -42.22 61.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.026 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 178' ' ' GLU . 86.2 t -63.85 -47.88 88.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 99.6 m -60.08 -35.91 76.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.477 ' HG ' HG21 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -68.09 -54.62 16.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -65.15 -25.7 67.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.803 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.1 t -73.85 -49.88 22.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.6 t -70.12 -24.86 63.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.191 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.949 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.865 0.364 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 63.55 48.7 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.508 ' O ' HG23 ' A' ' 30' ' ' VAL . 11.5 p -110.2 165.65 11.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -51.71 -46.1 63.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.4 m -54.7 -51.47 65.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -41.26 97.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 26' ' ' THR . 94.9 t -61.56 -54.11 39.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.125 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.75 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.7 -51.75 54.84 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.99 -40.26 95.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.487 HD11 ' HB ' ' A' ' 127' ' ' THR . 1.7 tt -63.49 -43.34 97.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.752 0.31 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.531 HD13 ' HB2' ' A' ' 184' ' ' LEU . 95.6 mt -63.64 -40.84 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 31' ' ' GLY . 29.7 p -64.18 -46.12 85.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -62.01 -55.33 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.609 HG22 HD11 ' A' ' 41' ' ' ILE . 9.7 p -59.32 -33.24 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.679 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.9 mt -65.33 -48.11 74.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.1 t90 -63.49 -40.64 97.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -63.45 -45.88 88.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.609 HD11 HG22 ' A' ' 37' ' ' VAL . 29.0 mt -61.82 -43.82 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 38' ' ' LEU . 96.8 t -61.07 -50.1 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -64.88 -41.22 95.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -33.92 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.797 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -69.76 -51.32 35.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -28.87 66.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.59 -34.36 61.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.84 -25.56 67.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 65.9 m -95.97 29.8 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.987 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 63.29 31.81 15.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.86 42.14 98.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -100.79 103.71 14.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.6 p -55.16 -26.61 39.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.15 -28.12 67.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.7 t -64.26 -26.16 68.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -49.66 76.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -110.31 25.96 11.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -74.85 -60.29 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -98.16 30.91 2.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -95.85 25.97 4.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.804 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.99 -31.36 11.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.61 -37.47 2.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.09 -31.86 44.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -53.93 -28.15 35.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -121.34 25.89 9.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -137.16 25.9 2.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.524 HD22 HD12 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -97.58 -48.31 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.52 21.78 8.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.524 HD12 HD22 ' A' ' 67' ' ' LEU . 20.5 mt -84.11 159.27 60.04 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.546 0.688 . . . . 0.0 110.982 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.324 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.731 0.301 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.593 HG23 ' CZ ' ' A' ' 179' ' ' PHE . 62.1 mt -106.07 -37.0 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.091 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.512 ' O ' HD23 ' A' ' 97' ' ' LEU . 1.3 m -58.63 -37.96 77.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.2 t -53.84 -52.3 60.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.88 -50.99 55.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.425 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.908 HD21 HD11 ' A' ' 128' ' ' LEU . 1.2 tp -54.07 -47.77 71.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.884 0.373 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 93' ' ' SER . 3.9 mm? -61.72 -49.11 77.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -50.56 71.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.724 ' HB3' HD13 ' A' ' 176' ' ' LEU . 22.3 m-85 -56.86 -47.51 80.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -55.48 -48.69 74.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.822 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.0 p -62.84 -36.12 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.688 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.8 m-85 -63.25 -64.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.509 HD23 HD22 ' A' ' 176' ' ' LEU . 2.2 pp -54.12 -39.5 66.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.492 ' N ' HD12 ' A' ' 103' ' ' LEU . 3.1 mm-40 -65.31 -37.17 86.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.752 ' CE1' HG22 ' A' ' 154' ' ' THR . 8.2 t80 -67.27 -47.23 71.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.724 ' CE ' HD11 ' A' ' 110' ' ' LEU . 15.5 ptm -72.85 -25.85 61.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.697 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -53.38 -45.34 69.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -59.83 -31.83 70.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -110.63 73.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.724 HD11 ' CE ' ' A' ' 106' ' ' MET . 11.9 mt -145.16 178.04 8.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.7 -176.01 5.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -61.59 -51.1 69.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -67.75 -50.88 54.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.575 ' HB3' HD22 ' A' ' 110' ' ' LEU . 6.9 mttt -55.55 -35.84 66.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.68 -53.21 23.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.933 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -51.93 -46.15 64.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.812 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -73.1 -36.54 66.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.94 -45.7 74.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.052 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.36 -45.9 76.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.84 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 94.6 t -66.69 -33.97 66.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.551 HD11 HG13 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -66.48 -51.02 61.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.983 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -63.4 -39.79 95.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -62.31 -50.57 71.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -59.0 -49.39 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.75 HG22 HD11 ' A' ' 129' ' ' ILE . 6.6 m -55.44 -51.04 68.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -58.38 -38.46 77.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.487 ' HB ' HD11 ' A' ' 33' ' ' LEU . 86.2 m -62.13 -56.0 23.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.193 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.908 HD11 HD21 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -61.61 -30.32 70.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.75 HD11 HG22 ' A' ' 125' ' ' THR . 40.0 mt -70.41 -39.94 77.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -39.65 71.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 43.5 mt -67.17 -49.66 70.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.562 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.5 m-85 -64.76 -49.08 72.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -59.55 -41.74 90.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -62.74 -52.0 64.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -60.06 -51.86 67.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 132' ' ' PHE . 98.9 t -58.94 -54.24 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -43.68 63.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -70.03 -30.48 67.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.876 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.953 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.858 0.361 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -50.86 -50.5 56.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.956 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.4 -48.7 71.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 16.8 mt -55.06 -53.3 57.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -53.58 -63.37 1.17 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.752 HG22 ' CE1' ' A' ' 105' ' ' TYR . 70.6 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 20.2 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.832 0.349 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -58.24 -29.67 65.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.87 -26.39 5.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -69.62 -69.03 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.6 m -48.45 -44.62 35.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.2 mm -63.26 -47.47 92.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -63.04 -30.45 71.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 0.404 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -70.46 -55.09 9.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.688 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.4 pt -61.2 -36.48 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.21 -53.84 26.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -56.24 -45.85 79.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.4 t -60.94 -48.85 79.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.724 HD13 ' HB3' ' A' ' 99' ' ' TYR . 18.0 tp -54.29 -58.06 8.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . 0.503 ' CD ' HG22 ' A' ' 42' ' ' VAL . 4.0 tt0 -52.69 -52.11 57.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -37.51 72.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.593 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 43.8 t80 -69.66 -31.31 69.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.448 ' HB2' HD21 ' A' ' 38' ' ' LEU . 55.7 mt -72.37 -46.21 56.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.9 ptpm? -65.19 -44.03 89.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.441 HG12 ' HA ' ' A' ' 179' ' ' PHE . 8.3 p -68.85 -34.63 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 8.2 m -69.4 -47.45 64.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.531 ' HB2' HD13 ' A' ' 34' ' ' ILE . 2.9 tm? -71.72 -30.4 65.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -75.0 -37.38 61.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.747 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.6 t -74.18 -50.76 17.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.062 0.458 . . . . 0.0 110.951 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 11.9 t -51.26 -30.44 17.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 7.3 mtm-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.545 HG13 HG23 ' A' ' 26' ' ' THR . 9.6 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.753 0.311 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 64.14 47.18 3.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.659 ' O ' HG23 ' A' ' 30' ' ' VAL . 68.2 p -113.45 162.48 16.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.127 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.7 p -51.8 -41.9 62.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 m -60.42 -51.59 68.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -35.47 77.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 26' ' ' THR . 98.8 t -63.33 -54.6 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.71 ' O ' HG23 ' A' ' 35' ' ' THR . . . -59.72 -51.94 55.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.455 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.76 -41.76 94.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.766 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.4 OUTLIER -64.03 -49.76 71.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.712 0.292 . . . . 0.0 110.908 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.602 ' N ' HD23 ' A' ' 33' ' ' LEU . 24.0 mm -54.62 -43.38 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.256 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 31' ' ' GLY . 29.8 p -65.11 -44.09 89.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.193 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -58.63 -55.57 33.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.745 HG22 HD11 ' A' ' 41' ' ' ILE . 8.4 p -59.63 -36.5 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.168 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.1 mm? -59.77 -48.54 81.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -64.53 -42.49 95.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.931 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -45.81 92.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.745 HD11 HG22 ' A' ' 37' ' ' VAL . 32.6 mt -61.37 -48.15 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.164 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 38' ' ' LEU . 89.8 t -56.91 -51.25 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.39 -46.13 83.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.8 ttt -65.82 -31.89 73.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.2 ttp85 -72.96 -51.25 19.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -28.85 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -56.45 -31.92 64.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.58 -27.5 68.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 56.2 m -99.03 30.97 3.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 t30 63.17 26.55 15.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.64 37.58 93.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.369 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -94.48 110.53 22.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.8 p -55.39 -27.0 44.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.3 -39.31 92.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.794 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -33.92 72.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.0 mtp -58.78 -32.17 69.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -122.88 26.79 8.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -89.55 -62.0 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.21 26.41 8.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.801 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -103.19 26.27 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.62 -29.79 10.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.088 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.61 -33.9 4.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.546 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -58.99 -39.08 80.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -53.1 -33.17 51.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -113.51 26.23 10.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -141.59 25.89 1.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.558 HD11 ' HE2' ' A' ' 174' ' ' LYS . 0.2 OUTLIER -88.66 136.57 32.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.74 -25.59 18.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.765 HD21 HG22 ' A' ' 172' ' ' ILE . 10.7 mp -63.96 160.64 45.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 110.958 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.156 0 C-N-CA 122.712 2.275 . . . . 0.0 112.323 179.9 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.0 mttt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.732 0.301 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.1 mt -109.65 -35.34 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.3 p -59.32 -48.65 80.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.833 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 m -53.85 -52.29 60.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.38 -46.94 91.57 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.535 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.601 HD22 ' CG1' ' A' ' 129' ' ' ILE . 10.6 mt -57.83 -56.13 25.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -48.37 73.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -52.8 -50.84 62.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -58.35 -46.07 86.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.994 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -55.36 -45.07 76.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.841 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -39.08 89.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.602 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.4 m-85 -60.38 -60.98 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.838 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 pp -57.86 -42.29 84.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -34.44 76.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.806 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.623 ' CD1' HG22 ' A' ' 154' ' ' THR . 2.8 t80 -71.64 -47.22 55.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 27.9 ttp -70.39 -26.03 63.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -30.34 71.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.934 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -60.09 -39.7 87.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -121.98 94.05 4.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.686 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.3 mt -149.06 178.02 9.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.988 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -80.01 -176.05 5.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -51.06 68.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -70.78 -47.9 57.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.767 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.686 ' CB ' HD22 ' A' ' 110' ' ' LEU . 16.6 mmtm -55.74 -38.81 70.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -67.72 -51.48 48.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.27 -48.74 65.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -38.15 73.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.88 -45.07 74.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.051 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.61 -49.87 71.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.5 -43.67 94.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.081 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.08 -49.02 79.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -58.3 -50.36 73.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -53.72 -53.15 56.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.07 -44.94 75.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.646 HG22 ' CD1' ' A' ' 129' ' ' ILE . 7.0 m -58.31 -51.0 71.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.93 -32.5 72.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.601 ' HB ' HD11 ' A' ' 33' ' ' LEU . 8.2 m -69.08 -56.47 7.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.048 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.766 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -60.3 -32.92 71.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.646 ' CD1' HG22 ' A' ' 125' ' ' THR . 75.2 mt -72.3 -41.33 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -64.63 -43.82 92.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 23.0 mt -67.7 -48.62 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.57 -50.16 70.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -60.4 -40.07 89.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -63.43 -46.48 86.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -60.38 -52.26 66.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.7 m -65.06 -31.83 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -66.47 -43.31 85.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.88 -26.01 43.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.9 tp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.894 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.851 0.358 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -50.6 -51.14 51.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.795 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.85 -47.51 74.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 22.3 mt -55.17 -55.05 35.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.473 HD11 HG21 ' A' ' 168' ' ' THR . 3.9 mm? -53.38 -62.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.623 HG22 ' CD1' ' A' ' 105' ' ' TYR . 66.3 p . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.198 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.747 0.308 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -77.0 -29.31 55.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.23 -26.72 12.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -70.03 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . 0.473 HG21 HD11 ' A' ' 153' ' ' LEU . 96.8 m -48.92 -45.45 41.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.38 -46.76 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -61.78 -32.2 72.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -69.71 -55.27 10.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.765 HG22 HD21 ' A' ' 69' ' ' LEU . 18.8 pt -60.32 -36.36 68.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.22 -52.16 44.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . 0.558 ' HE2' HD11 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -59.82 -47.23 86.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.943 179.773 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 4.4 t -62.39 -39.42 93.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.689 HD12 HD13 ' A' ' 180' ' ' LEU . 11.1 tp -63.08 -45.64 91.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -57.12 11.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.52 ' O ' HG23 ' A' ' 182' ' ' VAL . 17.8 pt-20 -57.19 -36.73 71.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -64.1 -48.86 74.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.689 HD13 HD12 ' A' ' 176' ' ' LEU . 5.6 mp -61.02 -41.7 97.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . 0.557 ' HG2' HD11 ' A' ' 38' ' ' LEU . 3.5 mtmt -61.63 -52.04 66.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.972 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 178' ' ' GLU . 66.2 t -63.13 -33.16 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 97.7 m -68.43 -47.77 66.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.643 ' O ' HD13 ' A' ' 184' ' ' LEU . 3.4 tm? -68.85 -31.55 70.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.43 -38.29 49.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.962 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 41.5 t -76.6 -48.08 20.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.0 t -52.93 -28.11 21.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.941 179.943 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.6 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.815 0.34 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 63.56 26.44 14.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.95 168.39 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -32.87 37.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.9 p -68.27 -43.77 77.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.69 -50.85 70.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.7 m -62.16 -40.89 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 35' ' ' THR . . . -59.96 -53.02 49.32 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.508 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.41 -38.98 97.21 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.738 HD21 ' O ' ' A' ' 124' ' ' ASP . 2.4 tt -64.87 -44.19 90.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.772 0.32 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.577 HD13 HD22 ' A' ' 184' ' ' LEU . 34.6 mt -62.03 -43.91 98.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 31' ' ' GLY . 59.3 p -62.97 -45.94 90.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -59.04 -55.41 35.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.715 HG22 ' CD1' ' A' ' 41' ' ' ILE . 13.3 p -60.36 -33.01 52.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.771 HD11 ' HB3' ' A' ' 180' ' ' LEU . 1.5 mp -62.37 -48.66 78.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -65.73 -42.67 90.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.41 -47.25 86.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.804 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.715 ' CD1' HG22 ' A' ' 37' ' ' VAL . 48.2 mt -60.27 -47.97 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 38' ' ' LEU . 92.7 t -56.12 -53.47 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -58.15 -45.56 87.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.1 ttt -63.96 -31.65 72.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.504 HH21 ' NE2' ' A' ' 170' ' ' GLN . 0.8 OUTLIER -68.86 -51.3 41.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.842 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -71.49 -28.5 63.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.34 -36.9 66.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.567 HD12 ' HE3' ' A' ' 114' ' ' LYS . 7.1 mp -56.9 -32.92 66.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.0 m -95.97 36.68 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.2 t30 58.09 27.31 14.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.2 39.62 98.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -94.92 113.83 25.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.72 -28.4 47.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.789 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.68 -46.55 88.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -26.78 46.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 32.6 mtp -73.82 -42.14 61.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -109.09 34.73 3.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.22 -59.29 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.41 28.54 8.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -96.29 26.35 4.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.93 -25.55 8.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.051 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.29 -37.11 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.23 -40.21 81.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -56.43 -28.91 60.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.805 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -114.94 26.83 9.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -145.8 26.17 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.447 HD11 ' HE3' ' A' ' 174' ' ' LYS . 0.3 OUTLIER -84.69 136.54 33.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.953 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.27 -25.95 19.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.565 HD21 HG22 ' A' ' 172' ' ' ILE . 8.8 mp -64.12 160.68 46.34 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.687 0.756 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.856 0.36 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.669 HG23 ' CZ ' ' A' ' 179' ' ' PHE . 77.6 mt -125.35 -37.57 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -40.56 74.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.06 -52.35 61.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.3 -50.92 58.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.557 HD13 ' HE2' ' A' ' 179' ' ' PHE . 0.9 OUTLIER -55.2 -50.49 69.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.86 0.362 . . . . 0.0 110.883 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.84 -49.17 77.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -55.62 -49.56 72.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -56.52 -50.21 72.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -54.2 -47.42 72.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -36.35 83.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.749 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.7 m-85 -64.57 -64.46 0.87 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.919 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 122' ' ' GLN . 1.6 pp -52.56 -42.22 64.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.456 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.6 mm-40 -64.81 -37.67 88.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.786 ' CD1' HG22 ' A' ' 154' ' ' THR . 2.8 t80 -70.05 -49.37 51.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 32.2 ttp -68.25 -27.96 66.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -28.08 68.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -59.72 -36.84 77.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -129.07 98.16 4.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.657 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.7 mt -148.9 177.88 9.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -78.5 -176.04 4.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.7 -51.25 67.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -70.9 -48.11 55.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.657 ' CB ' HD22 ' A' ' 110' ' ' LEU . 19.7 mmtm -55.68 -37.22 68.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -68.35 -50.77 50.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -53.12 -47.45 68.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -72.11 -38.11 69.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.82 -45.51 74.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -55.57 -43.21 75.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 63.8 t -67.73 -35.99 74.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.2 -51.12 65.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.475 ' HA ' HD13 ' A' ' 103' ' ' LEU . 13.0 pt20 -63.32 -43.97 96.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -57.15 -53.11 61.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.738 ' O ' HD21 ' A' ' 33' ' ' LEU . 56.4 m-20 -57.24 -53.76 54.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.786 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.6 m -55.23 -46.15 76.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -54.96 -49.17 72.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.409 ' HB ' HD11 ' A' ' 33' ' ' LEU . 4.6 m -59.47 -51.51 69.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.143 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.625 HD23 ' N ' ' A' ' 129' ' ' ILE . 0.1 OUTLIER -56.3 -52.21 65.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.625 ' N ' HD23 ' A' ' 128' ' ' LEU . 67.8 mt -57.54 -37.24 57.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -62.72 -48.31 79.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 69.3 mt -63.0 -53.0 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -58.92 -50.19 74.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.793 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -58.14 -38.02 75.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -63.83 -49.82 71.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -58.53 -52.3 66.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.3 m -63.88 -32.15 55.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -65.84 -43.39 88.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -76.09 -28.77 57.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.909 0.385 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -51.8 -50.95 59.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.816 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -51.82 -48.72 63.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.7 mp -57.85 -48.22 80.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.587 HD23 ' CE2' ' A' ' 105' ' ' TYR . 0.4 OUTLIER -55.04 -63.0 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.786 HG22 ' CD1' ' A' ' 105' ' ' TYR . 48.5 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.838 0.351 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 27.7 ptt-85 -81.85 -26.3 34.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 4.3 m -52.3 -26.64 12.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -69.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.962 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.8 m -48.87 -45.6 41.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.29 -46.91 95.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . 0.504 ' NE2' HH21 ' A' ' 45' ' ' ARG . 36.7 tt0 -60.49 -33.41 72.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -69.5 -55.24 10.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.749 HD12 ' HB3' ' A' ' 102' ' ' TYR . 20.1 pt -60.81 -35.72 66.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.211 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 18.1 mt -67.14 -54.27 22.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.936 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . 0.447 ' HE3' HD11 ' A' ' 67' ' ' LEU . 5.1 tttp -56.42 -48.31 77.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.29 -42.66 99.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.1 tp -57.55 -52.32 65.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -58.93 -56.9 16.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.11 -47.39 68.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.669 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 35.6 t80 -55.83 -51.56 67.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.771 ' HB3' HD11 ' A' ' 38' ' ' LEU . 1.9 tp -54.35 -48.84 71.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . 0.56 ' HG2' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -55.15 -60.82 2.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.19 -46.55 67.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 92.6 m -52.94 -50.21 64.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.156 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.577 HD22 HD13 ' A' ' 34' ' ' ILE . 5.3 tp -61.28 -41.68 97.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -63.9 -30.92 71.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 42.0 t -74.32 -52.16 13.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.808 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.3 t -59.94 -32.88 71.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.169 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.803 -179.892 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.92 0.391 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 63.23 26.01 15.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.959 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.62 176.43 6.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.169 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.98 -33.11 66.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 p -67.8 -42.21 81.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -50.8 68.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.7 m -62.29 -39.7 85.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.177 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.622 ' O ' HG23 ' A' ' 35' ' ' THR . . . -61.93 -52.54 49.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.525 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.5 -36.61 93.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.547 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.705 HD21 ' O ' ' A' ' 124' ' ' ASP . 1.9 tt -66.32 -50.12 64.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.811 0.339 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.513 HD13 ' HB2' ' A' ' 184' ' ' LEU . 97.5 mt -59.49 -42.25 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 31' ' ' GLY . 69.2 p -63.55 -46.8 84.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -58.06 -55.43 34.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.824 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.715 HG22 ' CD1' ' A' ' 41' ' ' ILE . 13.5 p -60.05 -34.2 55.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.051 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.4 mp -61.25 -48.59 80.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -65.05 -43.34 92.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.426 ' HB3' HD11 ' A' ' 121' ' ' LEU . 1.6 tm-20 -61.6 -44.2 97.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.812 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.715 ' CD1' HG22 ' A' ' 37' ' ' VAL . 44.8 mt -62.15 -46.61 96.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 38' ' ' LEU . 88.1 t -58.78 -47.38 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.07 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -66.87 -41.37 87.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.2 ttt -66.54 -31.85 72.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.955 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.04 -51.09 16.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.474 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -69.31 -28.73 66.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -53.88 -32.74 54.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.3 mt -58.37 -31.58 67.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.02 29.73 2.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 61.82 28.58 17.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.55 39.09 68.62 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.592 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -93.06 106.73 18.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 110.927 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.77 -27.36 50.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.81 -27.13 67.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -26.14 65.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 10.4 mtt -66.4 -51.8 53.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -97.89 31.65 2.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -78.84 -48.61 14.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.47 ' OD1' HD21 ' A' ' 62' ' ' LEU . 6.6 t0 -144.48 35.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -96.13 26.36 4.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.804 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.52 -31.09 9.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.109 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.47 HD21 ' OD1' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -117.01 -28.12 6.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.024 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.528 ' HB1' ' CZ ' ' A' ' 171' ' ' PHE . . . -51.68 -47.28 63.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -60.52 -26.27 66.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -107.11 25.9 10.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -143.15 25.06 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.815 HD22 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -98.37 178.48 5.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.16 -19.0 10.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.815 HD11 HD22 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -84.6 158.47 59.87 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.591 0.71 . . . . 0.0 110.911 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.341 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.871 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.3 tttt . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.79 0.329 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.569 HG23 ' CZ ' ' A' ' 179' ' ' PHE . 61.8 mt -107.08 -37.54 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.089 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 t -52.52 -41.36 63.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 t -54.03 -52.31 61.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.69 -51.35 54.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.445 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.72 HD21 HD11 ' A' ' 128' ' ' LEU . 0.8 OUTLIER -53.45 -49.82 66.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.837 0.351 . . . . 0.0 110.98 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.71 -49.23 78.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -56.97 -49.65 75.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.93 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.575 ' CB ' HD13 ' A' ' 176' ' ' LEU . 20.4 m-85 -56.02 -47.46 77.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -56.71 -48.44 77.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.779 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.88 -33.0 74.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.637 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.4 m-85 -67.22 -64.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 104' ' ' GLU . 1.7 pp -52.78 -39.23 62.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.97 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.404 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.5 tt0 -66.23 -42.71 88.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.752 ' CD1' HG22 ' A' ' 154' ' ' THR . 4.6 t80 -60.32 -47.06 87.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.947 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.474 ' SD ' HG23 ' A' ' 169' ' ' ILE . 6.1 ptm -74.7 -25.96 59.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.563 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -64.7 -37.81 88.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.73 -24.18 63.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -129.55 83.76 2.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.639 HD22 ' CB ' ' A' ' 114' ' ' LYS . 7.2 mt -147.78 177.97 8.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -76.83 -175.98 3.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -63.11 -51.21 67.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -69.08 -48.78 61.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.639 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.1 mmtm -55.76 -41.09 73.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -67.42 -44.66 78.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -55.84 -49.98 71.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.803 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.8 mmtm -71.86 -38.54 70.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.81 -44.76 74.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -55.6 -49.69 72.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.83 -41.05 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.157 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 40' ' ' GLU . 1.9 mp -58.91 -49.93 75.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.35 -48.19 82.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -53.92 -53.26 55.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.705 ' O ' HD21 ' A' ' 33' ' ' LEU . 76.8 m-20 -55.8 -49.1 74.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.959 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.689 HG22 ' CD1' ' A' ' 129' ' ' ILE . 5.9 m -55.64 -48.78 74.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -60.84 -35.25 76.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.523 ' O ' HD12 ' A' ' 131' ' ' ILE . 5.7 m -64.84 -56.46 13.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.72 HD11 HD21 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -61.35 -31.33 71.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.945 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.689 ' CD1' HG22 ' A' ' 125' ' ' THR . 48.7 mt -71.86 -38.3 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.071 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.45 -42.66 74.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.523 HD12 ' O ' ' A' ' 127' ' ' THR . 6.0 mt -67.48 -49.81 67.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.578 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.4 m-85 -61.99 -50.13 73.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -60.84 -39.75 90.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -61.39 -53.32 58.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -60.55 -52.35 65.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 132' ' ' PHE . 97.8 t -57.04 -55.07 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.163 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -52.9 -43.03 65.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -69.99 -28.49 65.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.841 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -51.09 -50.31 58.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.38 -48.74 71.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.5 mt -55.6 -51.68 66.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.82 -63.77 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.988 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.752 HG22 ' CD1' ' A' ' 105' ' ' TYR . 58.0 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.16 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.813 0.34 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -28.19 67.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 3.1 m -50.77 -26.59 5.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -69.32 -69.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.8 m -48.47 -45.0 36.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.474 HG23 ' SD ' ' A' ' 106' ' ' MET . 39.4 mm -63.01 -45.59 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.048 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.6 -30.69 71.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 0.528 ' CZ ' ' HB1' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -71.18 -55.26 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.637 HD12 ' HB3' ' A' ' 102' ' ' TYR . 13.0 pt -59.13 -39.51 78.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.593 HD12 HG23 ' A' ' 41' ' ' ILE . 3.5 mm? -67.21 -48.52 67.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -44.5 95.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 22.3 m -62.76 -44.04 97.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.575 HD13 ' CB ' ' A' ' 99' ' ' TYR . 17.8 tp -60.4 -47.49 85.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -59.59 -57.19 14.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -59.23 -30.94 68.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.569 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 53.4 t80 -74.92 -30.87 61.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.533 ' CB ' HD11 ' A' ' 38' ' ' LEU . 46.5 mt -74.88 -47.26 31.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . 0.449 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -67.99 -39.51 83.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 179' ' ' PHE . 5.7 p -70.57 -35.51 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.227 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 22.6 m -75.23 -34.02 61.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.513 ' HB2' HD13 ' A' ' 34' ' ' ILE . 2.8 tm? -75.99 -35.3 59.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -33.19 40.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 23.6 m -77.36 -49.57 14.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.069 0.462 . . . . 0.0 110.964 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.0 t -51.71 -29.67 19.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.178 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.814 0.34 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 63.48 41.24 7.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.013 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.46 ' O ' HG23 ' A' ' 30' ' ' VAL . 8.3 p -95.58 161.47 14.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -51.91 -47.78 64.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.38 -51.2 60.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -36.56 78.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 26' ' ' THR . 73.7 t -63.68 -54.38 32.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.708 ' O ' HG23 ' A' ' 35' ' ' THR . . . -58.4 -52.1 54.74 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.513 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.06 -43.8 94.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.506 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.766 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.5 OUTLIER -63.14 -49.5 74.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.743 0.306 . . . . 0.0 110.889 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.083 HG21 HD13 ' A' ' 184' ' ' LEU . 11.5 mm -54.05 -44.58 63.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 31' ' ' GLY . 30.5 p -65.12 -43.16 92.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -58.56 -55.45 34.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.704 HG22 HD11 ' A' ' 41' ' ' ILE . 8.1 p -59.97 -35.55 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.102 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.713 HD11 ' HG2' ' A' ' 181' ' ' LYS . 0.3 OUTLIER -60.17 -48.63 80.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -65.78 -42.62 90.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.544 ' OE2' HG11 ' A' ' 120' ' ' VAL . 2.3 mt-10 -59.7 -46.43 89.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.704 HD11 HG22 ' A' ' 37' ' ' VAL . 36.7 mt -62.9 -47.09 94.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.092 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 38' ' ' LEU . 98.6 t -57.82 -41.7 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.084 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.37 -43.71 69.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.412 ' SD ' HD11 ' A' ' 173' ' ' LEU . 1.8 ttt -65.73 -31.8 73.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -74.81 -50.71 16.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -68.74 -28.82 67.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -54.72 -38.09 66.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.9 mt -55.94 -26.55 48.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.38 33.16 4.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 58.79 37.06 25.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.05 43.29 93.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.567 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -91.69 120.29 32.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.4 p -63.41 -33.45 75.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.816 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -45.7 91.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.801 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.02 -29.95 32.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.7 mtp -61.26 -37.92 84.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.75 26.71 9.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -85.43 -60.78 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.95 26.45 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -103.42 28.82 6.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.55 -30.93 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.69 -32.26 4.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.34 -37.83 57.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.041 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -53.98 -29.2 42.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -117.15 27.07 9.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -146.55 30.07 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.838 HD22 HD12 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -103.45 -48.87 3.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.26 23.83 9.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.838 HD12 HD22 ' A' ' 67' ' ' LEU . 20.3 mt -83.99 159.25 60.42 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.648 0.737 . . . . 0.0 110.947 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.64 2.226 . . . . 0.0 112.346 179.866 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.6 mttp . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.795 0.331 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.536 HG23 ' CZ ' ' A' ' 179' ' ' PHE . 61.7 mt -74.68 -40.56 47.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.4 t -53.63 -37.09 62.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.3 t -53.92 -52.46 60.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.69 -49.88 61.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.913 HD21 HD11 ' A' ' 128' ' ' LEU . 1.2 tp -55.29 -46.83 76.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 mp -61.86 -48.98 78.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -51.4 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -57.4 -48.24 79.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.469 ' HA ' HD21 ' A' ' 103' ' ' LEU . 36.5 t-80 -54.25 -45.71 72.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.1 m -63.81 -41.0 97.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.403 ' HB3' HD12 ' A' ' 172' ' ' ILE . 19.4 m-85 -62.09 -64.51 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.469 HD21 ' HA ' ' A' ' 100' ' ' HIS . 2.5 pp -52.35 -40.14 61.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.431 ' N ' HD12 ' A' ' 103' ' ' LEU . 3.3 mm-40 -64.67 -37.77 88.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.942 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.656 ' CD1' HG22 ' A' ' 154' ' ' THR . 2.7 t80 -65.12 -49.25 70.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.027 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.529 ' HE2' HD11 ' A' ' 110' ' ' LEU . 9.4 ptm -68.38 -30.4 69.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.84 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.679 ' HA ' HD12 ' A' ' 110' ' ' LEU . 7.1 tmtt? -54.17 -36.6 63.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.977 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -45.16 93.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -105.76 82.49 1.8 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 107' ' ' LYS . 11.0 mt -145.82 175.72 10.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.007 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.0 -176.04 5.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.09 -51.06 69.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -48.18 63.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.598 ' HB3' HD22 ' A' ' 110' ' ' LEU . 21.7 mmtm -55.91 -40.01 72.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -51.98 45.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.825 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.54 -46.24 63.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -73.17 -36.58 66.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.8 77.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -55.68 -41.32 73.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.544 HG11 ' OE2' ' A' ' 40' ' ' GLU . 91.7 t -71.02 -35.72 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -51.94 42.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -64.86 -35.25 80.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -65.26 -49.97 67.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.797 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -60.72 -46.68 89.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.678 HG22 HD11 ' A' ' 129' ' ' ILE . 5.7 m -58.02 -48.84 78.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.256 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -58.51 -42.03 86.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.44 ' HB ' HD11 ' A' ' 33' ' ' LEU . 6.7 m -60.54 -55.35 34.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.065 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.913 HD11 HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -60.55 -30.59 69.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.678 HD11 HG22 ' A' ' 125' ' ' THR . 40.1 mt -71.2 -37.9 68.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.14 -40.63 71.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 85.7 mt -67.78 -48.64 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.452 ' O ' HG23 ' A' ' 136' ' ' VAL . 4.2 m-85 -64.57 -48.05 76.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -61.3 -40.9 95.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -62.45 -51.27 68.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -57.4 -51.88 67.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 132' ' ' PHE . 94.3 t -61.02 -49.95 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -51.91 -44.9 64.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.023 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -68.71 -37.23 79.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -50.07 -48.22 53.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.771 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.63 -45.63 81.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 20.3 mt -57.82 -52.42 65.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.586 HD11 HG21 ' A' ' 168' ' ' THR . 3.9 mm? -54.51 -62.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.656 HG22 ' CD1' ' A' ' 105' ' ' TYR . 65.9 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.143 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.837 0.351 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -47.95 66.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.32 -26.83 13.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -69.17 -70.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . 0.586 HG21 HD11 ' A' ' 153' ' ' LEU . 10.6 m -48.95 -44.03 40.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.207 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.18 -45.88 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.186 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -63.04 -30.04 71.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.76 -55.38 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.403 HD12 ' HB3' ' A' ' 102' ' ' TYR . 17.6 pt -58.07 -38.77 69.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.07 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.412 HD11 ' SD ' ' A' ' 44' ' ' MET . 3.6 mm? -68.0 -50.15 57.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . 0.509 ' HE3' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -58.44 -52.17 66.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.824 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 55.9 p -60.07 -42.74 95.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.573 HD12 HD13 ' A' ' 180' ' ' LEU . 13.1 tp -55.98 -54.01 49.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -55.32 36.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.94 -49.69 65.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.536 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 54.6 t80 -53.62 -53.19 55.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.573 HD13 HD12 ' A' ' 176' ' ' LEU . 6.6 mp -55.38 -40.93 71.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . 0.713 ' HG2' HD11 ' A' ' 38' ' ' LEU . 10.7 mtmt -58.78 -62.55 1.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 6.1 p -57.8 -38.76 67.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 60.6 m -55.21 -52.22 64.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 1.083 HD13 HG21 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -64.69 -44.34 90.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.967 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -59.01 -29.45 67.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 7.1 t -82.53 -50.13 9.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.608 HG22 ' HA ' ' A' ' 184' ' ' LEU . 6.4 t -66.37 -16.35 64.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.072 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.405 HG23 ' H ' ' A' ' 26' ' ' THR . 18.8 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.852 0.358 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 63.51 36.73 10.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.657 ' O ' HG23 ' A' ' 30' ' ' VAL . 21.7 p -109.98 165.85 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 p -58.43 -40.28 82.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m -60.29 -51.65 68.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -62.11 -41.81 98.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.762 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 26' ' ' THR . 91.4 t -61.2 -54.34 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.718 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.15 -51.96 52.44 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.25 -40.94 94.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.543 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.514 HD11 ' HB ' ' A' ' 127' ' ' THR . 1.4 tt -64.38 -49.8 70.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.549 ' O ' HD23 ' A' ' 38' ' ' LEU . 26.2 mm -55.44 -42.96 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.151 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.718 HG23 ' O ' ' A' ' 31' ' ' GLY . 31.3 p -65.35 -44.23 88.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -57.76 -55.67 31.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.841 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.737 HG22 HD11 ' A' ' 41' ' ' ILE . 7.8 p -60.08 -36.85 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.621 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -59.04 -48.4 81.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -65.5 -42.07 92.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -61.87 -41.12 97.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.737 HD11 HG22 ' A' ' 37' ' ' VAL . 33.0 mt -66.17 -46.79 86.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.179 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 38' ' ' LEU . 87.6 t -58.14 -48.12 85.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.263 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -66.5 -41.72 88.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.426 ' O ' HD13 ' A' ' 48' ' ' LEU . 3.1 ttp -65.91 -32.14 73.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -72.9 -51.14 19.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.421 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -69.42 -28.86 66.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.93 -38.23 67.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 44' ' ' MET . 9.2 mp -61.29 -26.34 67.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 m -96.23 27.39 3.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t30 62.52 34.23 15.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.41 41.9 98.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.482 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -100.39 105.05 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.5 p -57.82 -26.46 62.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.81 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.8 -29.17 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.65 -28.03 69.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.1 mtp -58.49 -43.97 89.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -116.81 26.03 10.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -74.09 -60.43 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.8 23.33 13.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.506 ' HA ' ' HB3' ' A' ' 63' ' ' ALA . 6.4 t70 -76.21 -27.34 56.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.33 -29.73 25.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.13 -31.62 7.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.506 ' HB3' ' HA ' ' A' ' 60' ' ' ASP . . . -55.0 -28.4 51.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.074 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.55 -27.02 56.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -111.59 26.2 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -137.76 27.28 2.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 mt -103.64 -67.32 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 58.18 22.62 9.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.979 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mp -84.16 160.78 56.73 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.526 0.679 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.839 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.78 0.324 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.8 mt -95.6 -29.68 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 m -71.0 -45.5 63.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -52.42 60.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.28 -49.77 68.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.531 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.416 HD23 HG12 ' A' ' 129' ' ' ILE . 1.3 mp -53.68 -47.06 70.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.918 0.39 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.96 -49.38 76.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.3 -53.37 56.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.734 ' HB3' HD13 ' A' ' 176' ' ' LEU . 24.7 m-85 -55.58 -47.16 76.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.987 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -54.56 -47.48 73.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -38.81 91.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.791 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.2 m-85 -61.33 -63.59 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 pp -55.14 -36.87 66.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.928 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -65.98 -36.97 84.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -68.77 -52.03 34.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.738 ' HE1' HD11 ' A' ' 110' ' ' LEU . 4.6 ppp? -66.89 -28.09 68.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.834 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -63.49 -28.62 70.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.79 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -35.65 81.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -128.5 98.17 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.738 HD11 ' HE1' ' A' ' 106' ' ' MET . 6.6 mt -148.8 177.96 9.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -75.15 -176.03 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -64.04 -51.22 65.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.9 -47.1 48.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.597 ' HB3' HD22 ' A' ' 110' ' ' LEU . 8.4 mttt -55.68 -34.18 64.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -68.8 -53.1 23.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.53 -45.07 69.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -72.24 -39.02 68.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.93 -46.4 74.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -55.66 -44.1 76.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 90.5 t -67.26 -34.19 67.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.582 HD21 HG12 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -66.3 -50.8 62.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -63.27 -41.82 99.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -60.31 -53.13 61.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -57.23 -46.26 83.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.561 HG22 ' CD1' ' A' ' 129' ' ' ILE . 22.2 m -56.47 -51.13 69.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.98 -34.67 73.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.514 ' HB ' HD11 ' A' ' 33' ' ' LEU . 11.1 m -64.63 -56.15 15.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.116 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.406 HD22 ' CD1' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -62.65 -31.38 72.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.561 ' CD1' HG22 ' A' ' 125' ' ' THR . 67.9 mt -71.17 -38.03 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.076 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.42 -42.22 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.1 mt -66.8 -47.94 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -64.89 -50.05 68.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -59.4 -40.69 87.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -63.49 -49.45 73.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -57.21 -52.07 66.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.3 -28.06 42.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.165 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -69.15 -40.71 78.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.49 -41.73 54.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.415 ' HA ' HD12 ' A' ' 152' ' ' LEU . 3.3 m . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.895 0.378 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -51.85 -51.09 59.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.07 81.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 149' ' ' SER . 48.1 mt -60.77 -62.67 1.69 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.789 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.51 -51.27 65.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 46.9 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.94 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.9 tt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.761 0.315 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -59.41 -30.18 68.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.93 -27.21 12.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -69.75 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.2 m -48.9 -45.35 41.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.53 -47.83 91.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -61.35 -32.04 71.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.51 -55.19 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.791 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.8 pt -61.17 -35.84 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -67.24 -50.95 58.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -58.27 -47.33 83.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 10.5 t -61.14 -46.52 90.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.734 HD13 ' HB3' ' A' ' 99' ' ' TYR . 18.5 tp -56.05 -51.36 68.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.67 -57.06 14.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 182' ' ' VAL . 7.5 mt-10 -53.28 -50.04 65.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -57.03 -44.22 82.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 38.8 mt -57.9 -49.81 75.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . 0.528 ' CG ' HD11 ' A' ' 38' ' ' LEU . 5.6 mtmp? -57.47 -53.88 53.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 178' ' ' GLU . 65.0 t -55.2 -37.39 43.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.022 0.439 . . . . 0.0 111.249 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 30.5 m -70.29 -38.15 74.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.623 ' O ' HD13 ' A' ' 184' ' ' LEU . 2.6 tm? -66.76 -38.54 86.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -81.27 -28.23 34.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 7.7 m -78.17 -41.62 34.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.802 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.0 t -65.39 -30.22 71.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.889 0.376 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 63.6 51.46 2.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.521 HG23 ' H ' ' A' ' 29' ' ' GLN . 2.0 t -108.95 158.99 17.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.137 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 p -51.44 -48.38 62.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -51.57 55.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.521 ' H ' HG23 ' A' ' 26' ' ' THR . 1.6 tm0? -60.18 -39.87 87.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 26' ' ' THR . 91.5 t -64.03 -54.09 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.688 ' O ' HG23 ' A' ' 35' ' ' THR . . . -54.72 -51.86 49.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.64 -38.79 97.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.532 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.65 -43.56 89.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.502 ' CD1' HD22 ' A' ' 184' ' ' LEU . 85.1 mt -64.28 -40.95 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 31' ' ' GLY . 73.1 p -64.31 -47.1 80.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.232 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -61.47 -55.24 33.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.802 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.595 HG22 HD11 ' A' ' 41' ' ' ILE . 7.7 p -59.5 -33.7 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.662 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.9 mt -64.2 -48.46 75.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -63.23 -44.11 96.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.64 -47.13 86.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.595 HD11 HG22 ' A' ' 37' ' ' VAL . 31.9 mt -60.09 -48.93 86.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.052 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 38' ' ' LEU . 92.3 t -54.69 -53.26 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.71 -40.28 83.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.3 tpt -65.52 -32.03 73.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.98 -48.99 41.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -70.13 -28.29 65.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -53.93 -44.69 70.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.458 HD21 HG21 ' A' ' 169' ' ' ILE . 9.1 mp -58.65 -25.94 63.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.834 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.9 m -95.81 26.09 4.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t30 63.01 37.87 11.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.58 27.68 27.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.443 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -84.5 107.99 17.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.921 0.391 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.7 p -54.97 -26.83 39.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.78 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.05 -44.93 94.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.6 t -53.68 -28.21 32.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.5 mtp -62.47 -41.3 98.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -123.73 38.27 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -90.92 -72.17 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -107.24 32.79 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.87 26.1 4.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.6 -30.86 14.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.06 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.01 -33.78 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.516 ' HB1' ' CE1' ' A' ' 171' ' ' PHE . . . -61.5 -38.7 88.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -54.4 -27.57 37.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -119.23 30.86 6.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 -139.34 24.19 2.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.522 HD23 ' CD2' ' A' ' 171' ' ' PHE . 1.3 mp -90.81 -34.21 15.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.63 22.06 9.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mp -84.09 160.67 57.15 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.678 0.751 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.27 . . . . 0.0 112.317 179.893 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.1 mttt . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.733 0.302 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.8 mt -104.87 -26.01 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -50.22 36.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.9 m -55.96 -52.31 64.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.87 -51.11 60.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 mp -54.61 -48.57 72.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.328 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.38 -49.15 75.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -55.27 -52.21 64.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -55.39 -44.22 75.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.475 ' HA ' HD21 ' A' ' 103' ' ' LEU . 21.9 t-80 -59.95 -42.55 94.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.9 m -69.82 -29.37 66.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.764 ' HB3' HD12 ' A' ' 172' ' ' ILE . 14.7 m-85 -72.57 -52.67 14.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.563 HD13 ' HA ' ' A' ' 122' ' ' GLN . 2.3 pp -63.46 -42.98 98.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.548 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.9 pp20? -67.88 -33.16 74.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.59 ' CE1' HG22 ' A' ' 154' ' ' THR . 27.6 t80 -67.54 -50.83 56.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.416 ' HG2' HD11 ' A' ' 110' ' ' LEU . 11.4 ttp -70.59 -36.3 73.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.413 ' HA ' HD12 ' A' ' 110' ' ' LEU . 4.0 tmtt? -51.6 -36.04 44.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -59.9 -38.52 82.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -123.71 95.78 4.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.591 HD13 ' HB3' ' A' ' 114' ' ' LYS . 10.5 mt -149.01 173.13 13.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -73.23 -175.94 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -51.33 68.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.803 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -71.92 -48.65 43.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.591 ' HB3' HD13 ' A' ' 110' ' ' LEU . 7.2 mttt -55.64 -32.15 62.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -66.71 -53.09 37.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.25 -42.43 81.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -72.67 -31.51 65.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.91 87.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.144 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -61.95 -50.45 72.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.435 HG23 HH21 ' A' ' 123' ' ' ARG . 7.2 p -64.83 -36.12 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -50.44 71.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.563 ' HA ' HD13 ' A' ' 103' ' ' LEU . 0.7 OUTLIER -61.97 -48.69 79.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.435 HH21 HG23 ' A' ' 120' ' ' VAL . 41.6 ttp180 -53.95 -51.76 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.87 -51.01 70.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.4 m -56.92 -48.08 79.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -54.74 -47.18 74.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.9 m -60.23 -49.63 76.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.102 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.619 HD23 ' N ' ' A' ' 129' ' ' ILE . 0.1 OUTLIER -58.89 -51.81 68.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.619 ' N ' HD23 ' A' ' 128' ' ' LEU . 63.1 mt -57.8 -36.49 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -65.89 -47.07 76.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.5 mt -61.83 -51.85 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -61.35 -50.0 74.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -56.22 -39.54 72.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -64.87 -54.94 23.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -48.5 63.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.4 t -69.13 -32.89 55.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -69.3 -27.73 65.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -84.57 -46.04 11.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.883 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.865 0.364 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -51.9 -51.0 59.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.31 -53.68 47.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.8 mp -51.63 -53.07 42.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.86 -64.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.59 HG22 ' CE1' ' A' ' 105' ' ' TYR . 63.1 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.764 0.316 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -31.98 48.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . 0.447 HG23 ' HB3' ' A' ' 48' ' ' LEU . 2.6 m -51.86 -27.0 11.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -69.54 -69.96 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.4 m -48.82 -45.87 41.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.458 HG21 HD21 ' A' ' 48' ' ' LEU . 1.7 mp -60.85 -49.21 85.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -59.77 -31.0 69.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 0.522 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -70.64 -55.19 9.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.764 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.6 pt -61.62 -36.71 75.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.17 -53.12 33.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -56.58 -46.23 80.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.839 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -49.53 77.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.78 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.4 tp -53.89 -55.87 22.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -52.8 -55.77 20.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.55 ' O ' HG23 ' A' ' 182' ' ' VAL . 3.3 mm-40 -52.92 -38.54 61.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -63.01 -50.49 70.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 22.3 mt -56.41 -48.3 77.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -57.84 -58.85 6.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 178' ' ' GLU . 60.6 t -54.6 -48.45 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 97.5 m -51.68 -51.37 56.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.502 HD22 ' CD1' ' A' ' 34' ' ' ILE . 6.1 tp -61.13 -38.99 88.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -66.01 -30.38 70.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 39.0 t -75.35 -52.08 11.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.817 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.402 HG22 ' HA ' ' A' ' 184' ' ' LEU . 5.3 t -58.05 -34.57 70.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.099 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.899 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.405 ' O ' HG12 ' A' ' 24' ' ' VAL . 19.9 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.893 0.377 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 63.65 24.55 13.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.964 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.33 166.41 13.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -51.69 -45.93 63.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.84 -51.32 57.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -39.95 90.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 80.9 t -61.9 -54.22 37.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.0 -52.2 52.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.35 -38.33 93.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.524 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.756 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.1 OUTLIER -66.05 -39.97 90.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.767 0.317 . . . . 0.0 110.964 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.627 HG22 HD12 ' A' ' 38' ' ' LEU . 25.5 mm -63.91 -53.21 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 t -60.15 -37.83 81.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.17 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -66.97 -55.69 13.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.565 HG22 HD11 ' A' ' 41' ' ' ILE . 7.8 p -62.13 -32.39 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.661 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.7 mt -66.62 -48.3 69.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -63.73 -41.3 98.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -62.5 -47.93 81.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.565 HD11 HG22 ' A' ' 37' ' ' VAL . 37.7 mt -60.41 -45.75 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.065 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 38' ' ' LEU . 92.2 t -59.49 -45.91 93.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -65.83 -44.65 84.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.438 ' HE1' ' HB2' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -65.77 -31.83 73.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -75.29 -49.5 19.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.784 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -29.01 66.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -60.86 -30.08 69.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.4 mt -58.09 -34.22 69.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 54.8 m -96.69 37.31 1.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 56.77 27.65 13.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.57 43.33 77.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -100.35 108.22 20.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 110.915 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.3 p -56.26 -34.08 66.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -30.76 70.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -25.94 67.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.783 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.4 mtp -66.07 -49.76 66.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -113.67 37.06 3.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -71.01 -47.73 57.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.841 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.81 31.08 0.96 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.799 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.406 ' HA ' ' HB3' ' A' ' 63' ' ' ALA . 12.5 p-10 -70.98 -23.16 62.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.09 19.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.51 HD12 ' N ' ' A' ' 63' ' ' ALA . 4.1 pp -112.52 -37.72 4.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.51 ' N ' HD12 ' A' ' 62' ' ' LEU . . . -61.89 -37.87 86.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -56.75 -26.0 56.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -109.56 27.65 9.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -132.47 24.07 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mp -102.25 -42.24 6.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 58.13 24.04 10.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.487 HD23 ' HE1' ' A' ' 99' ' ' TYR . 6.6 mp -83.89 160.61 57.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 0.0 110.922 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 C--N 1.34 0.126 0 C-N-CA 122.739 2.293 . . . . 0.0 112.305 179.952 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.737 0.303 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.583 HG23 ' CZ ' ' A' ' 179' ' ' PHE . 78.5 mt -62.22 -23.98 33.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.22 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.413 ' O ' HD12 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -66.98 -41.66 86.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.747 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.85 -52.41 60.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.802 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.04 -51.21 46.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.511 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.42 -48.87 65.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.856 0.36 . . . . 0.0 110.94 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -62.7 -49.07 76.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 179.879 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -56.12 -56.95 14.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.724 ' HB3' HD13 ' A' ' 176' ' ' LEU . 22.5 m-85 -53.87 -46.14 71.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -55.3 -47.45 75.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -36.69 84.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.749 ' HB3' HD12 ' A' ' 172' ' ' ILE . 28.5 m-85 -62.57 -63.21 1.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.1 pp -55.12 -42.58 73.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.971 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.55 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.1 mt-10 -60.47 -40.65 91.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.779 ' CD1' HG22 ' A' ' 154' ' ' THR . 3.3 t80 -65.35 -52.02 56.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.449 ' HG2' HD11 ' A' ' 110' ' ' LEU . 3.6 ttp -65.26 -27.58 68.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -68.44 -25.97 65.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -60.31 -36.96 79.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -136.73 102.66 4.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.785 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.687 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.1 mt -149.09 166.91 27.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -60.01 -175.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.67 -51.21 63.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -71.97 -47.26 53.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.687 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.7 mmtm -55.53 -36.25 66.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -68.49 -51.03 47.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -53.63 -46.45 70.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -72.14 -39.63 68.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.438 ' HB2' ' HE1' ' A' ' 44' ' ' MET . . . -54.91 -42.94 72.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -55.72 -49.45 73.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.02 -41.42 90.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.184 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.529 HD21 HG12 ' A' ' 41' ' ' ILE . 0.5 OUTLIER -59.67 -48.88 79.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -60.53 -49.59 76.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.81 -50.88 65.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -58.25 -45.0 88.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.539 HG22 HD12 ' A' ' 129' ' ' ILE . 13.6 m -56.33 -51.11 69.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -64.62 -31.25 72.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.406 ' O ' HD12 ' A' ' 131' ' ' ILE . 60.4 m -70.4 -55.71 8.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.756 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.4 pp -61.36 -35.38 77.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.539 HD12 HG22 ' A' ' 125' ' ' THR . 80.2 mt -71.89 -40.15 68.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.164 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -65.4 -42.79 92.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.406 HD12 ' O ' ' A' ' 127' ' ' THR . 9.4 mt -68.3 -47.72 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -64.85 -50.01 68.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -60.48 -40.77 92.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -63.29 -48.22 79.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -58.73 -52.16 66.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.7 p -65.63 -28.84 45.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -69.07 -41.61 77.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -74.68 -37.97 62.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.3 tp . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.891 0.376 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -51.6 -50.91 59.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -51.92 -51.24 58.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.3 mp -55.79 -49.6 72.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.652 HD23 ' CE2' ' A' ' 105' ' ' TYR . 0.6 OUTLIER -53.58 -63.14 1.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.779 HG22 ' CD1' ' A' ' 105' ' ' TYR . 45.0 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 8.8 mt . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -34.6 71.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 26.0 m -52.18 -26.56 11.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -69.56 -69.79 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.5 m -48.99 -45.51 42.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.421 ' CG2' HD12 ' A' ' 173' ' ' LEU . 1.6 mp -61.32 -47.69 92.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -61.59 -31.66 71.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 0.482 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -69.74 -55.11 10.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.749 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.4 pt -61.05 -36.18 70.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.421 HD12 ' CG2' ' A' ' 169' ' ' ILE . 9.1 mt -67.42 -50.27 60.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -58.41 -47.21 84.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -45.92 91.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.834 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.724 HD13 ' HB3' ' A' ' 99' ' ' TYR . 20.5 tp -55.6 -58.09 9.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . 0.545 ' CD ' HG22 ' A' ' 42' ' ' VAL . 3.3 tt0 -54.31 -53.12 58.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -53.17 -49.18 67.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.583 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 67.2 t80 -64.04 -28.66 69.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.566 ' HB3' HD21 ' A' ' 38' ' ' LEU . 1.1 tp -69.55 -65.69 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -41.45 69.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 38.1 t -63.29 -52.47 58.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 26.7 m -56.69 -39.71 74.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.627 ' HG ' HG21 ' A' ' 34' ' ' ILE . 3.2 tm? -64.16 -55.65 20.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -63.06 -25.53 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 8.4 t -72.52 -48.2 42.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 184' ' ' LEU . 9.0 t -69.57 -25.02 63.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.123 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.943 0.402 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 63.62 24.4 13.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.453 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -99.35 168.08 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.3 p -51.57 -45.3 63.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.5 p -54.79 -51.63 65.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -61.09 -41.46 96.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 26' ' ' THR . 93.1 t -61.68 -54.28 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.698 ' O ' HG23 ' A' ' 35' ' ' THR . . . -55.78 -52.0 51.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.487 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.35 94.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.551 HD11 ' HB ' ' A' ' 127' ' ' THR . 0.9 OUTLIER -62.97 -48.16 80.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.33 . . . . 0.0 110.903 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.586 HG21 ' CD2' ' A' ' 184' ' ' LEU . 6.2 mm -55.73 -43.86 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.053 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 31' ' ' GLY . 28.9 p -65.23 -43.06 92.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.062 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -59.41 -55.22 37.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.719 HG22 HD11 ' A' ' 41' ' ' ILE . 8.7 p -59.93 -36.02 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.059 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.665 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -60.74 -48.28 82.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.989 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -65.1 -41.61 94.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -62.16 -45.37 93.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.719 HD11 HG22 ' A' ' 37' ' ' VAL . 36.8 mt -62.69 -46.76 95.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 38' ' ' LEU . 87.4 t -58.51 -46.56 89.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -67.07 -43.2 83.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -31.96 73.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -51.24 21.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.48 -28.89 66.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.87 -33.81 70.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.502 HD23 ' HE3' ' A' ' 114' ' ' LYS . 19.8 mt -55.75 -38.03 69.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.901 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -94.83 37.99 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 58.67 32.4 22.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.981 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.4 36.62 91.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -92.27 109.89 21.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 64.2 p -57.29 -37.36 72.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.53 -34.1 66.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.08 -25.88 67.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 43.0 mtp -70.58 -41.92 71.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -112.48 38.46 2.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.976 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.27 -61.52 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.76 23.13 14.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -83.5 -26.24 30.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.68 -56.31 23.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.08 -39.13 56.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.52 -32.2 62.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -56.04 -26.19 47.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -128.5 35.62 4.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -151.17 35.72 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.79 142.88 33.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.05 -23.56 21.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.833 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mt -77.65 154.54 81.16 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.6 0.714 . . . . 0.0 110.989 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.13 0 C-N-CA 122.666 2.244 . . . . 0.0 112.278 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.815 0.34 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 80.6 mt -95.81 -23.9 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.7 t -71.07 -40.23 71.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.0 t -53.76 -52.35 60.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.95 -48.44 60.53 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.22 -54.66 32.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 110.843 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.27 -49.17 78.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -53.55 -56.29 18.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.403 ' HB3' HD13 ' A' ' 176' ' ' LEU . 21.3 m-85 -54.5 -46.46 73.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.82 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -54.22 -47.32 72.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 p -63.57 -39.11 93.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.612 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.7 m-85 -60.91 -64.55 0.92 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 pp -54.19 -40.94 68.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.89 -31.92 73.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.751 ' CD1' HG22 ' A' ' 154' ' ' THR . 4.9 t80 -70.64 -49.77 43.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.7 ptm -72.94 -25.85 61.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.459 ' HA ' HD12 ' A' ' 110' ' ' LEU . 1.7 tmtm? -64.49 -30.57 71.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.788 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -60.08 -43.57 95.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -117.33 91.76 3.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.684 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.0 mt -146.83 178.11 8.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -78.8 -176.04 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -63.85 -51.06 66.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -69.49 -48.44 60.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.684 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.0 mmtm -55.75 -39.77 71.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -68.06 -49.76 59.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.95 -47.81 64.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -38.35 74.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.42 -43.99 75.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -55.68 -39.49 71.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 99.4 t -72.59 -38.55 59.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.459 HD11 HG13 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -66.06 -51.24 59.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.949 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -63.66 -44.37 94.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -57.63 -52.88 63.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.782 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -57.2 -47.62 80.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.636 HG22 ' CD1' ' A' ' 129' ' ' ILE . 23.3 m -53.89 -50.19 66.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -62.15 -34.48 76.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.551 ' HB ' HD11 ' A' ' 33' ' ' LEU . 20.5 m -65.78 -56.22 13.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.502 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -61.88 -32.84 73.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.636 ' CD1' HG22 ' A' ' 125' ' ' THR . 67.4 mt -71.27 -37.81 67.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.109 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.23 -40.76 74.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 65.7 mt -68.02 -50.08 62.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.537 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.5 m-85 -62.78 -48.55 78.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -62.37 -39.2 92.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -61.74 -53.72 52.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -59.02 -51.64 69.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 132' ' ' PHE . 85.2 t -60.35 -35.14 60.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -67.38 -41.49 84.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -71.31 -33.06 69.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.808 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.859 0.361 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -51.13 -49.48 60.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.26 -53.99 46.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.058 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.6 mp -51.74 -52.27 49.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.22 -64.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.751 HG22 ' CD1' ' A' ' 105' ' ' TYR . 57.2 p . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.814 0.34 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 5.4 ptt85 -67.23 -28.04 67.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.91 -26.58 6.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.35 -68.95 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.4 m -48.54 -45.09 36.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.5 mm -62.91 -45.4 98.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -63.39 -31.19 72.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.015 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -55.31 8.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.612 HD12 ' HB3' ' A' ' 102' ' ' TYR . 13.5 pt -59.29 -39.21 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 57.3 mt -67.65 -47.2 70.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -49.99 75.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 53.4 m -62.43 -41.9 99.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.403 HD13 ' HB3' ' A' ' 99' ' ' TYR . 11.4 tp -57.3 -51.23 70.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . 0.51 ' HA ' HD12 ' A' ' 180' ' ' LEU . 7.3 tt0 -60.73 -56.45 21.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 182' ' ' VAL . 3.1 mt-10 -52.94 -46.66 68.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.58 -38.94 89.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 177' ' ' GLU . 13.9 mt -61.32 -62.18 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -51.87 -46.5 64.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 178' ' ' GLU . 77.2 t -60.98 -49.72 83.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 52.3 m -51.79 -52.61 47.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.185 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.586 ' CD2' HG21 ' A' ' 34' ' ' ILE . 4.1 tp -59.06 -46.65 87.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 57.2 ttm-85 -60.54 -28.86 68.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 41.5 t -75.82 -51.73 11.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.794 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.2 t -62.36 -28.87 70.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.4 HG12 HG23 ' A' ' 26' ' ' THR . 34.6 t . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.876 0.369 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 63.52 26.03 14.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.4 HG23 HG12 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -94.55 162.75 13.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -51.61 -47.43 63.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.68 -51.56 54.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.933 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -60.59 -39.98 90.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.1 t -63.42 -54.18 36.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.069 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.703 ' O ' HG23 ' A' ' 35' ' ' THR . . . -55.59 -51.89 51.76 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.84 -38.0 95.26 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.55 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.654 ' O ' HG12 ' A' ' 37' ' ' VAL . 0.9 OUTLIER -67.23 -43.88 80.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.703 0.287 . . . . 0.0 110.912 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.648 ' CD1' HD22 ' A' ' 184' ' ' LEU . 75.6 mt -63.73 -37.9 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.111 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 31' ' ' GLY . 70.6 p -68.28 -46.41 70.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -60.68 -55.25 35.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.742 HG22 HD11 ' A' ' 41' ' ' ILE . 7.3 p -59.45 -39.04 78.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.9 mt -58.55 -48.75 79.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -63.31 -44.45 94.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.32 -44.71 95.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.963 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.742 HD11 HG22 ' A' ' 37' ' ' VAL . 29.7 mt -61.28 -48.1 90.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 38' ' ' LEU . 85.1 t -56.6 -52.64 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.49 -43.77 84.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.8 ttt -66.91 -31.88 72.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.503 ' HA ' HD13 ' A' ' 173' ' ' LEU . 53.9 ttp85 -73.42 -51.29 17.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.54 -28.55 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -53.9 -43.17 69.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mp -54.08 -28.73 41.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.3 31.36 2.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 t30 57.43 27.24 13.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.76 43.21 99.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -85.49 105.69 16.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 110.806 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.5 p -53.37 -29.9 36.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.38 -33.73 58.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.8 t -59.65 -27.77 66.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.0 mtp -70.47 -38.37 74.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -109.98 26.26 10.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -82.69 -62.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.55 36.28 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.93 26.3 4.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.46 -27.67 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.51 -33.84 4.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.013 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.04 -41.6 83.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.997 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -60.03 -31.51 70.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -106.52 28.98 7.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.74 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -144.0 26.3 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.45 138.8 34.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.39 -25.66 16.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.42 HD23 ' CE1' ' A' ' 99' ' ' TYR . 8.7 mp -64.03 160.71 45.39 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.656 0.741 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 C--N 1.342 0.194 0 C-N-CA 122.739 2.292 . . . . 0.0 112.283 179.904 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.5 mttm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.819 0.342 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 60.4 mt -106.62 -29.31 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.25 -49.37 75.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.7 p -56.71 -52.08 66.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.785 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.67 -51.74 56.18 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.411 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.18 -45.56 92.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.883 0.373 . . . . 0.0 110.923 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.531 HD23 ' N ' ' A' ' 98' ' ' GLU . 0.1 OUTLIER -60.34 -44.9 95.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.531 ' N ' HD23 ' A' ' 97' ' ' LEU . 44.7 mt-10 -59.65 -51.13 71.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.42 ' CE1' HD23 ' A' ' 69' ' ' LEU . 23.5 m-85 -56.44 -48.24 77.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -56.63 -47.23 80.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.7 m -64.04 -34.3 77.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.789 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.3 m-85 -64.98 -61.95 1.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.964 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 104' ' ' GLU . 1.8 pp -56.15 -41.82 76.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.513 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.0 OUTLIER -65.52 -35.83 82.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.588 ' CE1' HG22 ' A' ' 154' ' ' THR . 13.1 t80 -70.15 -52.06 26.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.974 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.634 ' HE1' HD11 ' A' ' 110' ' ' LEU . 4.7 ppp? -67.07 -26.76 66.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -64.74 -30.89 71.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -59.93 -37.0 78.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.51 96.96 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.682 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.2 mt -148.16 175.28 11.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -75.85 -178.89 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -60.14 -51.22 70.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -73.07 -47.34 45.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.682 ' CB ' HD22 ' A' ' 110' ' ' LEU . 1.1 mmmp? -55.66 -36.29 66.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -67.78 -50.07 58.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.95 -46.78 75.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -71.04 -40.12 71.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.962 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.99 -44.34 74.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.75 -49.7 72.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.5 t -60.66 -42.3 91.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -50.02 75.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.506 ' HA ' HD13 ' A' ' 103' ' ' LEU . 11.7 tm0? -59.31 -48.52 81.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -53.78 -53.15 56.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -55.72 -48.12 75.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.0 m -58.21 -49.37 77.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -54.88 -45.58 74.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.3 m -61.28 -54.52 42.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.149 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.627 HD23 ' N ' ' A' ' 129' ' ' ILE . 0.2 OUTLIER -54.36 -51.9 63.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.627 ' N ' HD23 ' A' ' 128' ' ' LEU . 60.6 mt -59.5 -36.5 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -62.8 -47.88 81.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 64.8 mt -62.53 -53.16 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -59.57 -50.05 75.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -58.51 -36.94 74.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -64.64 -50.12 68.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.6 -52.5 65.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.5 m -62.96 -32.07 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.16 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -66.98 -42.8 84.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -76.05 -27.53 57.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.967 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.527 0.062 0 CA-C-O 120.849 0.356 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -51.58 -48.04 63.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -57.0 -52.79 63.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.5 mp -51.53 -56.06 15.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.415 HD11 HG21 ' A' ' 168' ' ' THR . 3.7 mm? -52.27 -63.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.588 HG22 ' CE1' ' A' ' 105' ' ' TYR . 78.8 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 33.3 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.857 0.36 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -33.41 72.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.78 -26.5 5.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -69.58 -69.07 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.778 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . 0.415 HG21 HD11 ' A' ' 153' ' ' LEU . 95.4 m -48.51 -44.83 36.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.222 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.1 -45.7 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.17 -32.22 73.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -55.13 10.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.789 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.7 pt -60.22 -36.12 66.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 45' ' ' ARG . 25.1 mt -67.26 -55.61 13.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -54.41 -46.55 73.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.986 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 3.6 t -61.45 -46.56 89.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.8 tp -54.32 -56.89 13.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.04 -52.89 61.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.548 ' O ' HG23 ' A' ' 182' ' ' VAL . 0.2 OUTLIER -54.33 -45.13 72.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -62.04 -37.28 84.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 2.6 mt -63.95 -59.49 4.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.03 -43.94 70.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 178' ' ' GLU . 71.1 t -64.51 -52.8 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 52.1 m -50.34 -44.83 54.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.648 HD22 ' CD1' ' A' ' 34' ' ' ILE . 4.5 tp -67.18 -45.48 76.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -25.17 66.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 47.6 t -82.35 -50.84 8.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.447 HG22 ' HA ' ' A' ' 184' ' ' LEU . 10.8 t -65.55 -14.49 61.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.176 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.842 0.353 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 63.32 25.45 14.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.012 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -93.83 166.86 11.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.15 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 p -51.5 -45.88 63.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 p -52.95 -51.92 59.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -40.14 89.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 26' ' ' THR . 92.2 t -63.59 -54.36 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.632 ' O ' HG23 ' A' ' 35' ' ' THR . . . -54.54 -52.23 46.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.54 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.5 -37.96 95.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.415 ' CD1' HG21 ' A' ' 127' ' ' THR . 1.0 OUTLIER -66.92 -50.85 61.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.957 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.571 ' CD1' HD23 ' A' ' 184' ' ' LEU . 78.1 mt -57.2 -41.78 78.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.632 HG23 ' O ' ' A' ' 31' ' ' GLY . 81.9 p -65.17 -45.96 82.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -57.15 -55.42 35.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.73 HG22 HD11 ' A' ' 41' ' ' ILE . 9.3 p -59.96 -35.83 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.224 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.664 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.9 OUTLIER -59.82 -48.43 81.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -65.55 -42.12 92.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.06 -45.66 93.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.73 HD11 HG22 ' A' ' 37' ' ' VAL . 36.4 mt -62.46 -50.09 81.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 38' ' ' LEU . 88.2 t -54.01 -54.37 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.182 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -57.75 -43.63 85.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.6 ttt -64.57 -31.8 73.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -69.74 -51.27 35.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -70.99 -28.47 64.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.35 -31.6 63.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.1 mt -58.45 -35.23 71.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 79.7 m -95.9 37.2 1.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 56.8 30.79 18.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.43 35.62 91.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -88.73 119.24 29.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.822 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.4 -33.55 74.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.77 -42.16 88.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.11 -29.86 65.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 30.6 mtp -70.19 -29.63 66.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -117.32 28.6 8.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.65 -58.14 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.49 23.56 13.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -105.13 26.31 9.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -102.79 -39.23 7.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.77 -28.79 8.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.16 -31.41 61.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.041 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -55.92 -27.94 54.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.842 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -124.18 37.42 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -149.32 28.12 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.43 134.17 39.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.951 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.26 -26.63 30.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.52 HD23 ' CE1' ' A' ' 99' ' ' TYR . 8.6 mp -66.77 160.72 66.82 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--N 1.342 0.206 0 C-N-CA 122.66 2.24 . . . . 0.0 112.378 179.857 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.0 tttt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.751 0.31 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mt 71.03 -69.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.9 -49.32 59.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.6 t -54.04 -52.59 60.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.44 -49.64 72.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.54 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -51.93 -48.3 64.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -49.45 76.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.818 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.81 -51.26 68.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.52 ' CE1' HD23 ' A' ' 69' ' ' LEU . 24.3 m-85 -57.21 -47.11 82.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -54.19 -49.26 69.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.6 t -62.71 -37.16 85.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.704 ' HB3' HD12 ' A' ' 172' ' ' ILE . 11.7 m-85 -61.45 -64.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.3 pp -54.63 -39.04 67.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.513 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.5 mm-40 -64.31 -36.66 84.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -69.39 -51.83 32.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.953 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.7 ptm -66.01 -32.76 74.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -26.24 67.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -63.39 -36.98 85.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -126.91 96.99 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.594 HD13 ' HB3' ' A' ' 114' ' ' LYS . 9.0 mt -149.0 174.31 12.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -75.97 -176.24 3.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.85 -51.1 69.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -71.52 -47.49 54.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.594 ' HB3' HD13 ' A' ' 110' ' ' LEU . 20.3 mmtm -55.82 -39.1 70.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.04 -49.11 66.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.16 -49.87 68.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -69.6 -39.66 77.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.823 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.86 -43.71 73.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.022 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -55.75 -49.31 73.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.1 t -61.69 -42.62 95.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.408 HD21 HG12 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -57.43 -48.4 79.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -62.25 -48.98 77.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -53.92 -53.25 55.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -56.65 -50.6 71.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.697 HG22 HD12 ' A' ' 129' ' ' ILE . 32.8 m -52.25 -43.94 64.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -68.23 -33.75 74.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.415 HG21 ' CD1' ' A' ' 33' ' ' LEU . 7.0 m -65.63 -56.75 10.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.442 HD12 HG13 ' A' ' 129' ' ' ILE . 0.6 OUTLIER -61.69 -43.12 99.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.697 HD12 HG22 ' A' ' 125' ' ' THR . 75.5 mt -64.33 -35.18 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.177 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -71.23 -40.47 71.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 21.4 mt -66.21 -49.3 77.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.157 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.549 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.5 m-85 -65.14 -49.02 71.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -58.41 -42.82 88.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -63.21 -53.99 44.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -57.31 -49.78 75.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 132' ' ' PHE . 87.6 t -63.57 -33.82 63.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.199 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -69.01 -36.48 77.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -73.28 -43.29 61.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.802 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.966 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.867 0.365 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . 0.409 ' O ' HG23 ' A' ' 154' ' ' THR . 13.8 t-20 -51.81 -50.65 60.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.03 93.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 25.1 mt -58.66 -64.58 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 13.6 mt -51.76 -54.3 30.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 150' ' ' ASN . 68.7 p . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 9.7 tp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.738 0.304 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -80.24 -29.83 38.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.8 -26.61 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -69.54 -68.86 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.7 m -48.44 -44.78 35.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.38 -46.13 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.182 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.97 -31.35 72.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.975 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.65 -55.01 9.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.704 HD12 ' HB3' ' A' ' 102' ' ' TYR . 17.4 pt -60.28 -37.05 72.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.053 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.2 -54.9 16.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -55.21 -47.72 74.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 4.8 t -59.5 -47.88 83.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.646 HD12 HD13 ' A' ' 180' ' ' LEU . 8.8 tp -54.01 -55.74 24.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . 0.507 ' CD ' HG22 ' A' ' 42' ' ' VAL . 7.9 tt0 -54.0 -57.12 12.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.698 ' O ' HG23 ' A' ' 182' ' ' VAL . 5.7 mm-40 -53.67 -40.12 65.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -60.69 -52.07 66.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.646 HD13 HD12 ' A' ' 176' ' ' LEU . 7.1 mp -56.7 -43.59 80.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . 0.598 ' HG2' HD11 ' A' ' 38' ' ' LEU . 1.8 mtmp? -59.73 -50.15 74.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.99 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 178' ' ' GLU . 46.1 t -61.01 -49.61 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 21.5 m -57.03 -39.15 74.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.571 HD23 ' CD1' ' A' ' 34' ' ' ILE . 3.4 tm? -65.47 -55.99 14.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -62.58 -24.88 67.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 9.2 t -74.16 -48.04 31.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 12.5 t -72.03 -26.51 62.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.879 0.371 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 63.48 24.87 14.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.49 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -94.73 161.61 14.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -51.58 -47.98 63.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.6 -51.41 55.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -61.24 -38.68 87.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 26' ' ' THR . 96.0 t -62.62 -54.25 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.44 -52.04 54.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.44 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.84 -40.8 95.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.804 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -65.71 -37.81 87.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.782 0.325 . . . . 0.0 110.94 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.658 HG21 ' CD2' ' A' ' 184' ' ' LEU . 14.4 mm -63.99 -53.48 43.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.6 t -60.71 -37.97 83.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.189 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -63.02 -55.71 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.823 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.614 HG22 HD11 ' A' ' 41' ' ' ILE . 13.4 p -61.27 -32.08 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.041 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -64.61 -48.28 75.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.936 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.5 t90 -64.59 -44.69 89.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.529 ' OE2' HG21 ' A' ' 120' ' ' VAL . 1.3 mt-10 -58.78 -46.5 87.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.614 HD11 HG22 ' A' ' 37' ' ' VAL . 45.6 mt -61.83 -47.68 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 38' ' ' LEU . 99.1 t -56.05 -43.17 74.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -68.11 -41.92 81.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -32.26 73.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -49.35 22.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -70.06 -28.96 65.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -55.03 -34.27 63.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.69 -33.94 76.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.25 27.73 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.05 36.56 21.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.83 43.84 94.53 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.566 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -86.94 125.76 34.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.0 p -67.17 -39.31 86.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -35.77 80.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -57.91 -27.3 63.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.2 mtp -69.1 -47.56 64.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.817 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -104.49 33.64 3.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -85.89 -58.17 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.94 22.93 14.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.816 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -98.73 33.27 2.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.5 -32.47 5.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.18 -29.42 5.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.62 -32.63 65.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -58.35 -27.47 64.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -114.9 31.98 6.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -148.98 30.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.458 HD22 ' OG ' ' A' ' 175' ' ' SER . 0.3 OUTLIER -101.27 153.55 19.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.74 -25.97 13.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.469 HD23 ' HE1' ' A' ' 99' ' ' TYR . 8.7 mp -64.1 160.67 46.33 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.595 0.712 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.166 0 C-N-CA 122.598 2.199 . . . . 0.0 112.404 179.835 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.805 0.336 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.2 mt -118.4 -29.6 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 p -68.14 -43.99 77.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -52.3 61.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.876 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.56 -51.06 60.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.571 HD22 HG12 ' A' ' 129' ' ' ILE . 19.5 mt -53.67 -52.29 60.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.887 0.375 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.02 -47.67 80.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -53.57 46.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.469 ' HE1' HD23 ' A' ' 69' ' ' LEU . 19.8 m-85 -57.78 -44.93 86.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -57.16 -47.05 82.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.794 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -35.94 82.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.751 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.6 m-85 -63.22 -62.11 1.91 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 pp -57.01 -42.21 79.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.27 -31.31 72.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -70.7 -52.19 22.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.5 ptm -71.19 -27.89 63.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.59 ' HA ' HD12 ' A' ' 110' ' ' LEU . 2.0 tmtm? -56.17 -37.76 70.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -59.85 -41.03 90.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.01 87.05 2.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.696 HD22 ' CB ' ' A' ' 114' ' ' LYS . 8.0 mt -149.09 178.03 9.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -82.41 -175.85 5.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.74 -51.31 67.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -65.68 -51.87 56.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.696 ' CB ' HD22 ' A' ' 110' ' ' LEU . 22.4 mmtm -55.7 -33.85 64.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -50.93 61.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -45.31 86.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -70.6 -32.85 70.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.5 -36.25 80.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -65.37 -50.75 64.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.529 HG21 ' OE2' ' A' ' 40' ' ' GLU . 6.4 p -63.69 -38.66 82.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.29 -49.16 75.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.65 -49.79 76.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.3 mtp85 -54.74 -53.07 59.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -54.47 -47.29 73.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.544 HG22 ' CD1' ' A' ' 129' ' ' ILE . 6.5 m -58.93 -50.09 75.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -56.45 -37.17 69.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 89.1 m -66.34 -56.48 10.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.169 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.804 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -58.1 -31.27 66.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.965 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.571 HG12 HD22 ' A' ' 96' ' ' LEU . 76.7 mt -73.47 -41.3 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -44.79 93.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.4 mt -68.31 -53.24 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.623 ' O ' HG23 ' A' ' 136' ' ' VAL . 5.3 m-85 -57.26 -50.11 73.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -62.96 -39.18 93.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -56.82 -52.84 63.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.35 -52.54 61.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 132' ' ' PHE . 94.9 t -53.55 -42.16 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -69.24 -37.83 78.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -72.17 -19.99 61.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.792 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.897 0.38 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -50.76 -51.02 54.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.3 -46.17 76.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 18.1 mt -55.97 -55.52 31.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.568 HD11 HG21 ' A' ' 168' ' ' THR . 4.0 mm? -53.5 -62.58 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.954 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 69.6 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.926 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.76 0.314 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -80.98 -27.91 35.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.979 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.8 -26.44 5.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.16 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -69.47 -69.09 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . 0.568 HG21 HD11 ' A' ' 153' ' ' LEU . 85.7 m -48.54 -45.46 37.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.0 mm -62.33 -46.17 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -62.46 -32.53 73.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -55.16 11.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.751 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.4 pt -60.49 -36.02 66.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.07 -51.72 50.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -58.99 -44.95 91.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.458 ' OG ' HD22 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -61.83 -44.57 96.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.412 HD22 ' HB3' ' A' ' 99' ' ' TYR . 9.0 tp -58.68 -58.06 10.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.11 -56.0 19.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.593 ' O ' HG13 ' A' ' 182' ' ' VAL . 8.1 mm-40 -55.73 -39.99 71.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -66.45 -30.55 70.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.426 ' HB3' HD21 ' A' ' 38' ' ' LEU . 57.5 mt -72.05 -51.8 19.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.9 -44.45 91.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 178' ' ' GLU . 18.6 m -69.2 -36.54 73.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.5 m -60.9 -48.6 81.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.149 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.658 ' CD2' HG21 ' A' ' 34' ' ' ILE . 4.9 tp -69.52 -44.86 70.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -60.76 -28.88 69.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 8.5 t -82.61 -49.75 9.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.504 HG22 ' HA ' ' A' ' 184' ' ' LEU . 5.0 t -63.63 -15.78 59.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 4.4 mtm-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.552 HG13 HG23 ' A' ' 26' ' ' THR . 9.0 p . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.89 0.376 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 64.7 47.16 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.552 HG23 HG13 ' A' ' 24' ' ' VAL . 71.1 p -119.79 158.94 25.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.167 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.74 -35.56 32.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -45.64 70.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.51 -51.16 70.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.415 HG23 ' N ' ' A' ' 31' ' ' GLY . 21.3 m -61.5 -42.58 94.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.415 ' N ' HG23 ' A' ' 30' ' ' VAL . . . -58.19 -52.42 52.66 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.558 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.26 -38.01 95.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.521 HD21 ' O ' ' A' ' 124' ' ' ASP . 1.3 tt -68.05 -34.28 76.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.339 . . . . 0.0 110.963 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.733 HG21 ' HG ' ' A' ' 184' ' ' LEU . 13.2 mm -69.11 -49.01 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 t -63.86 -40.43 96.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.187 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -65.17 -55.37 19.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.52 HG22 HD11 ' A' ' 41' ' ' ILE . 9.6 p -59.85 -32.87 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.559 ' O ' HG23 ' A' ' 42' ' ' VAL . 10.5 mt -65.77 -48.66 71.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -62.92 -41.94 99.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -62.58 -46.07 90.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.52 HD11 HG22 ' A' ' 37' ' ' VAL . 34.8 mt -59.51 -47.69 89.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 38' ' ' LEU . 84.1 t -58.21 -55.35 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -59.37 -44.45 92.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.7 ttt -63.72 -31.7 72.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -51.33 32.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.813 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -70.43 -28.31 64.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.09 -30.83 64.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.415 HD23 ' HE3' ' A' ' 114' ' ' LYS . 26.1 mt -58.36 -34.14 70.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 92.5 m -95.52 35.81 1.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 t30 60.23 28.05 17.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.03 39.92 97.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -94.74 112.4 24.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 t -55.47 -26.84 44.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.785 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -63.15 -42.6 99.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.2 t -58.03 -35.47 71.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 19.9 mtp -54.98 -39.69 69.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -120.22 31.84 6.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -85.3 -63.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.71 27.7 6.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.8 27.66 3.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.9 -31.93 9.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.14 -35.47 4.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.969 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.424 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -52.88 -28.72 24.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -57.17 -26.18 60.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -125.46 30.41 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -143.74 25.89 1.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.631 HD22 HD12 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -96.25 -47.96 5.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.03 23.04 9.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.631 HD12 HD22 ' A' ' 67' ' ' LEU . 20.2 mt -84.19 159.26 59.83 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.635 0.731 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.63 2.22 . . . . 0.0 112.382 179.902 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.0 mptt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.819 0.342 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.8 mt -108.29 -24.56 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.071 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.473 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -70.85 -46.74 62.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.81 -179.833 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.5 p -53.83 -52.33 60.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.911 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.31 -49.73 71.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.6 mp -56.86 -45.17 82.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.371 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 93' ' ' SER . 0.3 OUTLIER -60.85 -49.31 77.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.2 -54.42 45.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -53.88 -48.13 70.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -54.34 -49.17 70.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.821 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.1 m -61.56 -35.53 78.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.739 ' HB3' HD12 ' A' ' 172' ' ' ILE . 24.7 m-85 -64.15 -64.45 0.88 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.603 HD13 ' HA ' ' A' ' 122' ' ' GLN . 2.3 pp -53.22 -38.75 63.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.577 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.9 OUTLIER -65.85 -39.27 90.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.708 ' CD2' HD13 ' A' ' 153' ' ' LEU . 34.3 t80 -67.56 -37.6 82.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.444 ' HG2' HD11 ' A' ' 110' ' ' LEU . 2.8 ttt -74.95 -37.72 61.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.806 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -25.95 64.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.974 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -59.93 -41.21 91.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -129.66 98.67 4.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.642 HD22 ' CB ' ' A' ' 114' ' ' LYS . 8.5 mt -147.23 176.69 9.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -82.1 -175.95 5.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.82 -51.26 68.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -69.17 -49.75 53.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.642 ' CB ' HD22 ' A' ' 110' ' ' LEU . 22.1 mmtm -55.65 -35.8 66.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.89 -48.91 64.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.34 -46.75 79.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -70.73 -42.29 70.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.4 -40.67 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -55.71 -43.32 76.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.2 t -73.03 -34.62 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.477 HD11 ' N ' ' A' ' 41' ' ' ILE . 0.5 OUTLIER -67.09 -50.72 60.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.603 ' HA ' HD13 ' A' ' 103' ' ' LEU . 1.6 pp0? -66.62 -44.22 82.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -58.19 -53.48 57.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.521 ' O ' HD21 ' A' ' 33' ' ' LEU . 9.3 m-20 -58.99 -48.76 80.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.666 HG22 HD12 ' A' ' 129' ' ' ILE . 90.7 m -52.99 -45.14 67.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -35.37 80.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.3 m -67.6 -56.56 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.1 pp -60.54 -37.11 80.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.666 HD12 HG22 ' A' ' 125' ' ' THR . 46.0 mt -70.16 -36.35 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -67.21 -44.51 79.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.7 mt -67.38 -52.12 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.439 ' O ' HG23 ' A' ' 136' ' ' VAL . 2.8 m-85 -58.51 -50.24 74.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -61.37 -40.57 94.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -59.5 -47.63 84.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -62.52 -52.29 64.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 132' ' ' PHE . 62.6 t -58.91 -41.33 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -69.16 -38.15 78.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -65.39 -37.24 86.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.894 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.9 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.5 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.886 0.374 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . 0.446 ' O ' HG23 ' A' ' 154' ' ' THR . 10.8 t30 -54.49 -37.65 65.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.811 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.53 85.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 12.3 mt -61.85 -52.85 62.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.708 HD13 ' CD2' ' A' ' 105' ' ' TYR . 47.8 mt -59.55 -53.21 60.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 150' ' ' ASN . 69.4 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.904 0.383 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -30.38 71.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.765 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.52 -26.62 5.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.1 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -69.76 -68.74 0.39 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 94.5 m -48.2 -44.34 32.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 37.8 mm -63.04 -51.99 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -56.1 -31.68 63.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.53 -55.31 8.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.739 HD12 ' HB3' ' A' ' 102' ' ' TYR . 26.6 pt -62.35 -35.68 70.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.77 -52.82 32.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -58.49 -46.12 87.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 4.8 t -60.31 -51.66 68.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.809 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.2 tp -52.79 -57.0 11.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . 0.428 ' HA ' HD12 ' A' ' 180' ' ' LEU . 1.7 tm-20 -51.76 -52.09 51.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.596 ' O ' HG13 ' A' ' 182' ' ' VAL . 2.8 mt-10 -57.09 -38.95 74.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.426 ' HA ' HG22 ' A' ' 182' ' ' VAL . 25.0 t80 -68.89 -30.29 68.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 177' ' ' GLU . 4.6 mt -72.46 -47.51 48.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -63.5 -45.19 91.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 178' ' ' GLU . 21.1 m -67.38 -36.49 76.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.488 ' O ' HG22 ' A' ' 187' ' ' THR . 18.8 m -71.81 -35.05 69.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.733 ' HG ' HG21 ' A' ' 34' ' ' ILE . 1.3 tm? -71.76 -42.49 67.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -74.38 -32.59 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.82 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 27.2 t -71.56 -52.1 19.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 183' ' ' THR . 13.8 t -63.92 -25.04 67.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.761 -179.888 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 24' ' ' VAL . 16.0 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 63.77 25.4 14.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.5 HG23 ' H ' ' A' ' 29' ' ' GLN . 4.6 t -87.54 161.53 17.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.239 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -51.46 -46.85 63.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.225 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 t -51.66 -51.45 55.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.793 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.5 ' H ' HG23 ' A' ' 26' ' ' THR . 4.7 tm0? -60.44 -39.06 86.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.66 -54.37 34.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.65 -52.02 53.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.536 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.71 -38.92 94.56 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.546 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.785 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -66.83 -37.77 85.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 0.0 110.983 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.512 ' N ' HD23 ' A' ' 33' ' ' LEU . 21.3 mm -65.24 -51.57 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.129 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 t -61.93 -38.83 89.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.183 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -63.08 -55.49 24.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.631 HG22 HD11 ' A' ' 41' ' ' ILE . 11.7 p -61.22 -31.92 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.644 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.3 mm? -65.31 -48.2 73.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.7 t90 -65.07 -42.02 94.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -60.78 -48.53 81.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.631 HD11 HG22 ' A' ' 37' ' ' VAL . 40.8 mt -60.83 -50.16 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 38' ' ' LEU . 86.3 t -53.31 -58.75 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.18 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.01 -45.04 71.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.3 ttp -61.42 -31.98 71.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.79 -50.34 30.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -68.54 -28.9 67.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -55.09 -39.84 69.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.3 mt -54.53 -32.37 58.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 67.6 m -96.43 40.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 54.85 28.05 9.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.81 40.83 51.61 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.543 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -99.37 111.24 23.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 110.828 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.75 -28.66 69.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.799 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -26.56 64.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.75 -31.37 72.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.3 mmm -61.55 -31.52 71.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -122.69 29.57 6.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -86.02 -69.81 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.468 ' OD2' HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -99.78 27.88 5.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -81.07 -26.09 36.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.86 -65.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.468 HD21 ' OD2' ' A' ' 59' ' ' ASP . 2.7 pp -61.04 -40.1 92.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.671 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -58.07 -33.15 68.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -53.57 -28.44 31.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.822 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -111.42 29.86 7.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -142.93 26.81 1.68 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -113.03 135.68 53.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.999 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.97 25.82 2.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.8 mp -82.9 160.67 60.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.497 0.665 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.155 0 C-N-CA 122.66 2.24 . . . . 0.0 112.376 179.849 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.745 0.307 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.5 mt 71.01 -69.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.205 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.87 -49.93 58.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 t -54.66 -52.25 62.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.71 -48.87 84.07 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.434 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.455 HD13 HG12 ' A' ' 129' ' ' ILE . 16.7 mt -52.35 -50.05 63.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 110.907 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.01 -49.09 79.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.06 -53.14 59.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.811 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.604 ' HB3' HD13 ' A' ' 176' ' ' LEU . 25.8 m-85 -56.9 -47.41 80.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -54.53 -48.46 71.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -37.35 86.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.786 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.1 m-85 -62.1 -64.41 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.1 pp -54.65 -39.88 68.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.985 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.478 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.4 mt-10 -66.39 -36.31 82.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.719 ' CD1' HG22 ' A' ' 154' ' ' THR . 5.9 t80 -66.54 -52.02 50.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.974 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.749 ' CE ' HD11 ' A' ' 110' ' ' LEU . 10.0 ptm -71.03 -25.92 62.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.881 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.675 ' HA ' HD12 ' A' ' 110' ' ' LEU . 7.1 tmtt? -51.68 -45.2 63.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.82 -37.32 78.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -106.82 78.67 1.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.749 HD11 ' CE ' ' A' ' 106' ' ' MET . 11.9 mt -149.05 178.04 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -82.34 -175.87 5.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -51.3 69.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.64 -51.41 56.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.567 ' CB ' HD22 ' A' ' 110' ' ' LEU . 8.8 mttt -55.69 -36.31 67.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.826 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -68.0 -53.01 29.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.07 -47.2 65.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -71.63 -37.35 70.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.74 -46.78 74.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -55.71 -43.01 76.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.7 t -67.61 -34.41 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.056 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.56 HD21 HG12 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -67.14 -50.92 59.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -62.29 -43.15 99.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -60.91 -51.66 68.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.812 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -56.36 -47.04 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.737 HG22 ' CD1' ' A' ' 129' ' ' ILE . 8.9 m -57.68 -51.02 71.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -57.42 -37.22 72.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 96.2 m -66.45 -55.73 14.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.183 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.785 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -60.28 -30.63 69.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.737 ' CD1' HG22 ' A' ' 125' ' ' THR . 51.5 mt -71.54 -44.94 70.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.072 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -40.8 96.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 24.1 mt -67.62 -50.67 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.086 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.522 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.8 m-85 -63.99 -46.82 82.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.815 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -61.73 -40.6 95.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -62.82 -53.94 46.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -52.02 65.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.81 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 132' ' ' PHE . 92.7 t -60.37 -47.77 91.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.102 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -53.0 -45.28 67.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -70.02 -34.64 73.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 10.1 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.021 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.862 0.363 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -50.76 -51.01 54.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.0 -49.31 71.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 11.2 mp -53.4 -56.06 19.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.61 -63.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.719 HG22 ' CD1' ' A' ' 105' ' ' TYR . 59.4 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.263 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.791 0.329 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -81.52 -39.11 25.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.12 -27.08 12.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.074 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -69.43 -69.84 0.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 90.4 m -48.94 -44.08 40.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.4 -46.25 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.189 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -60.75 -33.91 73.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -69.59 -55.41 10.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.786 HD12 ' HB3' ' A' ' 102' ' ' TYR . 20.1 pt -60.78 -36.02 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 18.4 mt -67.14 -51.99 47.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . 0.402 ' HZ1' HD11 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -56.56 -48.95 76.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -42.34 99.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.791 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.604 HD13 ' HB3' ' A' ' 99' ' ' TYR . 9.5 tp -56.16 -55.37 33.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.17 -55.04 40.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.654 ' O ' HG23 ' A' ' 182' ' ' VAL . 4.3 mt-10 -52.83 -42.39 65.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -60.66 -50.75 72.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 35.3 mt -54.7 -48.57 72.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . 0.546 ' HG3' HD11 ' A' ' 38' ' ' LEU . 52.6 mtmt -59.98 -52.28 66.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 178' ' ' GLU . 96.0 t -57.21 -43.55 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 35.4 m -59.72 -48.15 82.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.155 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.497 HD23 HG13 ' A' ' 34' ' ' ILE . 1.2 tm? -58.73 -56.01 27.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -61.78 -26.49 68.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 28.8 t -73.63 -48.58 31.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 184' ' ' LEU . 9.3 t -69.15 -25.17 64.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.14 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.572 ' HB ' HG22 ' A' ' 26' ' ' THR . 21.8 t . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.815 0.341 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 63.51 22.49 13.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.572 HG22 ' HB ' ' A' ' 24' ' ' VAL . 6.3 t -95.5 164.78 12.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 p -49.94 -46.9 52.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.171 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.1 m -55.27 -51.35 66.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.805 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.519 ' H ' HG23 ' A' ' 26' ' ' THR . 4.0 tm0? -60.52 -37.04 79.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 26' ' ' THR . 88.7 t -63.46 -54.48 32.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.713 ' O ' HG23 ' A' ' 35' ' ' THR . . . -57.82 -52.25 53.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.504 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.57 -42.08 95.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.443 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.577 HD21 ' HB3' ' A' ' 128' ' ' LEU . 1.1 tt -63.53 -47.36 81.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.322 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.474 ' N ' HD23 ' A' ' 33' ' ' LEU . 21.3 mm -56.99 -43.38 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 31' ' ' GLY . 28.9 p -64.45 -44.75 90.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -58.18 -55.5 34.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.773 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.737 HG22 HD11 ' A' ' 41' ' ' ILE . 9.9 p -60.77 -36.32 70.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.664 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.5 mp -59.13 -48.28 82.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -66.22 -42.87 88.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -60.1 -43.66 95.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.737 HD11 HG22 ' A' ' 37' ' ' VAL . 33.5 mt -64.29 -49.57 80.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 38' ' ' LEU . 85.4 t -54.0 -54.59 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -59.12 -44.25 91.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.9 ttt -62.74 -31.61 72.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.627 ' HA ' HD23 ' A' ' 173' ' ' LEU . 4.9 ttt180 -71.26 -51.25 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -69.35 -28.41 66.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -58.97 -32.63 69.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.459 HD23 ' HE3' ' A' ' 114' ' ' LYS . 26.9 mt -55.85 -33.94 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 30.9 m -97.11 37.02 1.36 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.816 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 63.19 26.67 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.28 36.18 92.46 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -91.28 111.87 23.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.88 0.371 . . . . 0.0 110.805 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.19 -30.68 28.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.964 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.71 -43.43 80.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -57.19 -26.05 60.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.4 mtp -69.68 -51.75 31.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -111.32 43.15 1.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.82 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.03 -49.09 6.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.527 ' OD2' HD11 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -133.5 26.9 4.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -74.85 -27.44 60.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.34 -26.08 51.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.527 HD11 ' OD2' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -115.59 -38.18 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.91 -38.49 75.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -53.92 -32.9 55.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -115.91 33.53 5.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -143.53 26.24 1.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.04 134.65 37.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.49 -26.59 30.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.519 HD23 ' CE1' ' A' ' 99' ' ' TYR . 8.4 mp -65.73 160.63 59.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.694 0.759 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.193 0 C-N-CA 122.721 2.281 . . . . 0.0 112.334 179.898 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.4 mttt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.781 0.324 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.3 mt 70.97 -69.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -50.02 74.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.798 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -52.81 62.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.792 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.17 -47.37 90.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.527 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 mp -54.62 -47.93 72.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.877 0.37 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -49.53 76.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -49.08 78.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.519 ' CE1' HD23 ' A' ' 69' ' ' LEU . 16.6 m-85 -56.49 -51.26 69.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.488 ' HA ' HD21 ' A' ' 103' ' ' LEU . 61.4 t-80 -54.48 -45.18 73.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.49 -38.46 89.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.592 ' HB3' HD12 ' A' ' 172' ' ' ILE . 23.1 m-85 -65.45 -64.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 122' ' ' GLN . 1.9 pp -51.0 -39.99 57.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.443 ' N ' HD12 ' A' ' 103' ' ' LEU . 23.4 tt0 -67.44 -38.07 83.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -63.45 -46.69 85.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.7 ptm -75.12 -31.2 61.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.49 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -66.77 -27.5 67.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -59.75 -33.02 71.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -136.07 95.48 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.693 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.9 mt -145.37 178.08 8.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.88 -176.03 3.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.53 -51.3 66.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -68.17 -50.04 56.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.693 ' CB ' HD22 ' A' ' 110' ' ' LEU . 20.8 mmtm -55.79 -33.77 64.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.9 -48.91 51.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.986 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -55.55 -46.37 77.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.6 mmpp? -71.25 -41.71 69.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.88 -42.03 71.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -41.37 73.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 98.0 t -72.27 -36.81 56.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.206 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.433 HD11 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -66.96 -51.28 57.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.5 ' HA ' HD13 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -64.5 -44.22 91.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -58.39 -52.83 63.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -57.45 -47.94 80.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.478 HG22 HD12 ' A' ' 129' ' ' ILE . 29.6 m -54.18 -48.17 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -63.0 -35.31 79.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.54 HG22 HD11 ' A' ' 131' ' ' ILE . 4.7 m -65.43 -56.36 12.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.065 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.577 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -61.18 -34.02 74.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.478 HD12 HG22 ' A' ' 125' ' ' THR . 53.6 mt -69.99 -37.78 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.171 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -71.36 -37.37 71.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.54 HD11 HG22 ' A' ' 127' ' ' THR . 8.4 mt -68.84 -49.72 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.072 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.556 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.5 m-85 -65.64 -46.2 80.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -62.38 -41.5 98.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -63.17 -52.9 60.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.95 -52.23 66.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.812 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 132' ' ' PHE . 88.5 t -59.71 -50.38 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -52.4 -44.88 65.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.09 -32.58 70.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.687 ' O ' HD12 ' A' ' 153' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.803 0.335 . . . . 0.0 110.778 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -51.07 -47.79 61.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.02 -35.82 75.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 42.4 mt -65.63 -57.54 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.687 HD12 ' O ' ' A' ' 149' ' ' SER . 1.2 mp -54.33 -52.57 61.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 67.8 p . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.24 179.868 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.723 0.297 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -52.27 -30.78 29.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 3.8 m -50.69 -26.43 5.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -69.71 -68.87 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.5 m -48.46 -45.76 37.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.8 mm -61.88 -49.97 82.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -62.04 -29.43 70.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -55.26 10.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.592 HD12 ' HB3' ' A' ' 102' ' ' TYR . 21.1 pt -60.94 -35.92 68.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.627 HD23 ' HA ' ' A' ' 45' ' ' ARG . 0.9 OUTLIER -66.78 -51.88 50.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -57.3 -48.47 78.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.91 -41.85 96.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.516 HD11 HD11 ' A' ' 180' ' ' LEU . 7.8 tp -58.95 -58.15 9.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . 0.563 ' OE1' HG22 ' A' ' 42' ' ' VAL . 1.5 tt0 -52.92 -52.13 58.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.583 ' O ' HG23 ' A' ' 182' ' ' VAL . 68.0 mt-10 -57.81 -46.41 84.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.95 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -62.57 -31.15 71.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.929 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.516 HD11 HD11 ' A' ' 176' ' ' LEU . 37.0 mt -69.8 -56.65 6.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . 0.485 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -56.69 -42.17 78.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.961 179.777 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 178' ' ' GLU . 82.1 t -63.92 -52.83 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.006 0.432 . . . . 0.0 111.198 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 83.6 m -53.26 -46.9 69.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.175 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.414 ' C ' HD13 ' A' ' 184' ' ' LEU . 2.1 tm? -61.44 -52.35 64.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -59.41 -31.73 69.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 35.4 t -70.1 -50.29 42.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 184' ' ' LEU . 10.0 t -67.88 -24.69 65.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.103 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.909 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.813 0.34 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 57.2 33.86 23.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.711 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -110.71 166.99 10.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.2 p -51.5 -46.2 63.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.199 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.9 m -56.81 -51.51 68.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -61.66 -39.29 90.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 26' ' ' THR . 97.9 t -62.01 -54.21 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.706 ' O ' HG23 ' A' ' 35' ' ' THR . . . -57.99 -51.77 56.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.8 -41.72 94.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.568 HD21 HD23 ' A' ' 128' ' ' LEU . 0.6 OUTLIER -64.15 -50.89 66.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.343 . . . . 0.0 110.973 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.565 HG22 HD12 ' A' ' 38' ' ' LEU . 20.9 mm -53.95 -44.02 60.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.706 HG23 ' O ' ' A' ' 31' ' ' GLY . 31.1 p -64.7 -45.29 87.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -62.61 -55.26 28.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.779 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.583 HG22 HD11 ' A' ' 41' ' ' ILE . 9.6 p -59.24 -33.89 52.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.617 HD21 ' HB3' ' A' ' 180' ' ' LEU . 10.7 mt -64.77 -48.48 74.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.977 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -63.4 -41.03 98.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -62.4 -46.07 90.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.583 HD11 HG22 ' A' ' 37' ' ' VAL . 26.4 mt -60.83 -48.0 90.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.16 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 38' ' ' LEU . 90.4 t -57.32 -52.76 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -57.76 -44.13 85.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.412 ' O ' HD13 ' A' ' 48' ' ' LEU . 4.7 ttp -66.57 -31.8 72.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.831 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.668 ' HA ' HD23 ' A' ' 173' ' ' LEU . 0.1 OUTLIER -73.58 -51.27 17.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.54 -28.66 66.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -54.62 -41.2 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.816 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.46 HD12 ' HE3' ' A' ' 114' ' ' LYS . 9.0 mp -53.94 -28.2 35.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.4 m -96.48 32.02 2.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t30 61.49 26.7 16.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.03 42.18 94.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.447 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -99.78 107.38 19.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.338 . . . . 0.0 110.83 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.0 m -52.94 -30.57 35.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -43.45 98.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.828 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -54.1 -33.75 58.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.5 mtp -56.93 -32.09 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -121.54 26.54 8.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -93.11 -57.25 2.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -98.92 26.61 5.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -103.17 27.76 6.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.47 -32.76 6.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.24 -37.3 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.401 ' HB1' ' CE1' ' A' ' 171' ' ' PHE . . . -55.01 -40.97 70.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.417 ' HA ' HD12 ' A' ' 67' ' ' LEU . 10.8 tt0 -55.69 -26.24 43.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -107.09 26.3 10.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -150.55 25.16 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 64' ' ' GLU . 1.2 mt -97.77 -50.79 4.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.68 21.92 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.978 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.447 HD23 ' HE1' ' A' ' 99' ' ' TYR . 6.6 mp -83.97 160.64 57.52 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.556 0.693 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.742 2.294 . . . . 0.0 112.245 179.845 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.776 0.322 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.4 mt 70.98 -69.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.237 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.9 m -51.14 -48.06 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 m -61.33 -52.29 65.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.37 -51.06 59.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.771 HD12 HD11 ' A' ' 129' ' ' ILE . 3.0 mm? -55.44 -49.41 72.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 110.931 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 97' ' ' LEU . 1.4 mm? -55.39 -49.35 72.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -55.28 34.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.447 ' HE1' HD23 ' A' ' 69' ' ' LEU . 24.0 m-85 -57.12 -42.93 81.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -55.71 -48.96 74.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.9 -39.94 95.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.789 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.409 ' HB3' HD12 ' A' ' 172' ' ' ILE . 16.0 m-85 -61.6 -64.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 104' ' ' GLU . 3.7 pp -54.17 -37.46 64.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.468 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.7 mm-40 -63.66 -40.5 96.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.531 ' CE1' HG23 ' A' ' 154' ' ' THR . 5.9 t80 -66.68 -52.3 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.9 ptm -65.94 -25.99 67.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -27.73 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.38 -37.96 82.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -127.67 97.73 4.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.688 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.9 mt -145.45 178.02 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -77.23 -175.92 3.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.84 -51.25 67.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -72.22 -47.74 48.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.688 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.4 mmtm -55.59 -34.59 64.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.921 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.65 -45.2 75.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -46.03 92.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.813 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -71.66 -32.6 68.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.08 -39.06 86.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -62.36 -50.42 71.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.25 -35.55 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.165 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.407 HD21 ' HA ' ' A' ' 41' ' ' ILE . 1.9 mp -62.61 -50.27 71.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.996 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -48.7 78.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.943 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -53.71 -52.89 58.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.424 ' HA ' HD11 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -56.72 -52.86 63.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.824 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.572 HG22 ' CD1' ' A' ' 129' ' ' ILE . 12.8 m -51.76 -40.63 60.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -68.27 -37.34 80.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.48 ' O ' HD12 ' A' ' 131' ' ' ILE . 3.0 m -63.66 -56.75 13.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.164 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.568 HD23 HD21 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -59.6 -44.78 93.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.771 HD11 HD12 ' A' ' 96' ' ' LEU . 62.4 mt -59.8 -39.73 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -66.44 -45.54 79.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 127' ' ' THR . 6.0 mt -65.05 -46.61 90.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -65.75 -48.08 73.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -58.46 -43.46 88.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -64.45 -47.07 80.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -57.12 -52.0 67.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.15 -27.76 38.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -69.02 -39.26 79.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -77.54 -45.83 24.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.815 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 23.8 tp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 -179.923 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.99 0.424 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -51.49 -50.96 58.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -52.03 -46.49 65.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.12 -49.39 77.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.514 HD23 ' CE2' ' A' ' 105' ' ' TYR . 0.6 OUTLIER -53.72 -61.61 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.531 HG23 ' CE1' ' A' ' 105' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.6 tp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.754 0.311 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -37.08 57.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.22 -26.87 12.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -69.44 -69.89 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 34.7 m -49.03 -44.46 41.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.3 -48.71 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -61.85 -29.01 69.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 0.401 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -71.45 -55.48 7.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.859 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.409 HD12 ' HB3' ' A' ' 102' ' ' TYR . 17.9 pt -59.15 -37.17 66.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.668 HD23 ' HA ' ' A' ' 45' ' ' ARG . 0.9 OUTLIER -67.88 -51.1 52.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -59.56 -51.92 67.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 47.2 p -58.98 -44.66 91.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.824 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.0 tp -56.24 -58.06 9.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . 0.403 ' HG3' HG22 ' A' ' 42' ' ' VAL . 6.4 tm-20 -52.88 -54.34 36.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 182' ' ' VAL . 0.8 OUTLIER -52.96 -49.99 64.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.903 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -60.92 -30.96 70.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.617 ' HB3' HD21 ' A' ' 38' ' ' LEU . 1.2 tp -67.58 -59.11 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -55.89 -43.87 77.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 178' ' ' GLU . 98.8 t -62.03 -46.21 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.471 ' O ' HG22 ' A' ' 187' ' ' THR . 88.2 m -64.84 -31.31 72.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.493 ' HG ' HG21 ' A' ' 34' ' ' ILE . 1.5 tm? -70.7 -47.96 57.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -74.48 -24.4 59.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.0 m -77.4 -52.11 9.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 183' ' ' THR . 14.6 t -63.32 -24.02 67.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.061 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.726 HG13 HG22 ' A' ' 26' ' ' THR . 7.5 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.789 0.328 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 61.25 58.56 2.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.726 HG22 HG13 ' A' ' 24' ' ' VAL . 9.3 t -123.29 167.23 14.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.13 -44.5 52.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -51.72 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.444 ' H ' HG23 ' A' ' 26' ' ' THR . 0.0 OUTLIER -61.72 -41.19 97.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 26' ' ' THR . 58.3 t -61.25 -54.24 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.168 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.73 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.82 -51.87 54.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.8 -41.59 94.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.3 -46.28 87.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.547 HG13 HD23 ' A' ' 184' ' ' LEU . 26.1 mm -58.97 -41.83 84.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 31' ' ' GLY . 25.3 p -65.1 -43.99 90.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.195 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -61.7 -55.17 33.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.645 HG22 HD11 ' A' ' 41' ' ' ILE . 13.9 p -59.31 -35.52 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.064 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.559 ' O ' HG23 ' A' ' 42' ' ' VAL . 10.1 mt -62.51 -48.81 77.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -63.18 -42.16 99.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.85 -45.24 95.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.645 HD11 HG22 ' A' ' 37' ' ' VAL . 22.7 mt -61.54 -46.9 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.224 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 38' ' ' LEU . 88.4 t -58.23 -46.26 88.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.038 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -43.76 83.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.2 ttt -65.22 -31.9 73.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.711 ' HA ' HD23 ' A' ' 173' ' ' LEU . 16.3 ttp85 -72.57 -51.18 20.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.837 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -28.76 66.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.5 -36.05 66.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.461 HD12 ' NZ ' ' A' ' 114' ' ' LYS . 7.9 mp -59.3 -26.27 64.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.57 29.78 5.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.4 t30 61.61 36.4 16.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.69 48.18 83.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.452 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -98.79 107.33 19.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.859 0.362 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 98.1 p -57.77 -31.5 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.78 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -35.39 74.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.7 t -57.06 -26.61 60.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.4 mtp -62.17 -51.56 67.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.964 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -104.24 36.89 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -90.98 -52.54 4.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -105.98 35.58 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 55.6 p-10 -96.64 26.22 4.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.787 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.29 -29.68 10.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.059 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.81 -33.39 4.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.54 -29.87 70.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -62.08 -26.89 68.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -121.09 33.04 5.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.955 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -146.29 26.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.784 HD22 HD12 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -99.59 -50.59 4.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.52 24.84 9.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.784 HD12 HD22 ' A' ' 67' ' ' LEU . 20.4 mt -84.08 159.3 60.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.652 0.739 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.209 0 C-N-CA 122.696 2.264 . . . . 0.0 112.318 179.923 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 mttt . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.684 0.278 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.5 mt 71.67 -66.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.14 -42.32 50.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.807 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 94.9 p -60.65 -50.68 72.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.04 -52.33 53.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.693 HD13 HD11 ' A' ' 128' ' ' LEU . 26.7 mt -62.61 -33.74 75.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.886 0.374 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.4 tp -64.79 -49.43 70.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.06 -49.44 75.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.83 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.513 ' HB3' HD13 ' A' ' 176' ' ' LEU . 20.9 m-85 -58.2 -43.49 87.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.964 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.465 ' HA ' HD21 ' A' ' 103' ' ' LEU . 40.7 t-80 -60.63 -45.16 95.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 t -62.98 -39.7 95.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.459 ' HB3' HD12 ' A' ' 172' ' ' ILE . 20.6 m-85 -64.36 -64.5 0.86 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 104' ' ' GLU . 3.6 pp -51.77 -39.33 58.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.533 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.9 mm-40 -63.69 -43.4 96.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.401 ' CE1' HG22 ' A' ' 154' ' ' THR . 7.3 t80 -62.38 -41.31 98.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 33.6 ttp -68.79 -37.99 79.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -52.33 -33.71 43.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.72 -37.48 79.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -121.21 89.88 3.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.667 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.0 mt -149.02 177.67 9.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -77.29 -175.91 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.99 -51.09 68.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -72.55 -46.88 52.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.667 ' CB ' HD22 ' A' ' 110' ' ' LEU . 13.4 mmtt -55.77 -37.81 69.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.941 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -68.11 -48.38 65.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.66 -48.37 72.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -71.57 -38.34 70.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.78 -46.77 74.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -55.42 -43.63 75.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 64.1 t -67.14 -35.3 73.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.2 -51.04 63.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -63.38 -42.74 98.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 21.7 ttp85 -58.99 -53.61 56.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -56.99 -49.26 76.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.676 HG22 ' CD1' ' A' ' 129' ' ' ILE . 12.2 m -56.63 -46.22 81.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.11 -33.67 74.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.45 HG22 HD11 ' A' ' 131' ' ' ILE . 4.8 m -67.62 -56.41 9.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.693 HD11 HD13 ' A' ' 96' ' ' LEU . 1.1 pp -60.31 -33.68 72.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.966 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.676 ' CD1' HG22 ' A' ' 125' ' ' THR . 65.2 mt -69.77 -44.2 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -63.64 -41.03 98.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.45 HD11 HG22 ' A' ' 127' ' ' THR . 9.1 mt -66.16 -52.92 42.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.548 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.6 m-85 -62.53 -49.5 75.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -58.63 -40.58 83.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -62.3 -53.21 58.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.92 -49.55 77.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 132' ' ' PHE . 96.9 t -61.26 -35.35 65.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.08 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -69.07 -40.19 78.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -69.91 -35.56 74.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.8 tp . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.918 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.737 ' O ' HD12 ' A' ' 153' ' ' LEU . 8.7 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.872 0.368 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . 0.45 ' O ' HG23 ' A' ' 154' ' ' THR . 2.8 p-10 -51.38 -43.33 61.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -62.59 -35.3 79.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.38 -53.13 25.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.737 HD12 ' O ' ' A' ' 149' ' ' SER . 1.3 mp -57.13 -50.65 72.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 150' ' ' ASN . 60.8 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.843 0.354 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -43.9 79.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -26.63 9.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -69.68 -69.75 0.33 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 92.2 m -48.8 -45.9 40.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.435 HG21 HD21 ' A' ' 48' ' ' LEU . 1.7 mp -60.73 -51.18 76.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -61.43 -27.77 68.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.97 -55.37 8.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.459 HD12 ' HB3' ' A' ' 102' ' ' TYR . 21.0 pt -60.89 -36.17 69.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.115 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.711 HD23 ' HA ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -67.83 -52.53 35.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -57.88 -52.14 66.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -44.55 92.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.522 HD22 HD23 ' A' ' 103' ' ' LEU . 12.1 tp -56.86 -52.62 64.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.41 -57.08 13.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.604 ' O ' HG23 ' A' ' 182' ' ' VAL . 7.6 mt-10 -53.46 -50.06 66.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.5 -30.84 69.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.779 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.541 ' HB3' HD21 ' A' ' 38' ' ' LEU . 1.5 mt -68.09 -60.54 2.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.9 ptpm? -53.79 -42.64 68.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 178' ' ' GLU . 96.3 t -63.09 -48.91 85.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 97.1 m -60.46 -32.32 71.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.547 HD23 HG13 ' A' ' 34' ' ' ILE . 2.7 tm? -70.44 -55.98 7.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -19.81 65.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.801 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 5.6 m -79.83 -48.55 13.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.5 t -69.56 -24.9 63.77 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.215 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 179.952 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.849 0.356 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 63.77 41.97 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.583 ' O ' HG23 ' A' ' 30' ' ' VAL . 2.1 t -109.76 156.97 19.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -52.42 -49.96 63.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.75 -51.64 54.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 -179.877 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.571 ' H ' HG23 ' A' ' 26' ' ' THR . 0.9 OUTLIER -61.01 -41.4 96.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.963 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 26' ' ' THR . 96.3 t -61.41 -54.39 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.691 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.07 -52.08 51.52 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.492 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.59 -43.15 94.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.551 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.8 OUTLIER -63.31 -49.3 74.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.737 0.303 . . . . 0.0 110.834 -179.889 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.585 ' O ' HD23 ' A' ' 38' ' ' LEU . 22.1 mm -54.12 -44.45 63.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.167 179.873 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 31' ' ' GLY . 29.1 p -64.93 -44.2 90.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.172 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -59.0 -55.19 38.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.698 HG22 ' CD1' ' A' ' 41' ' ' ILE . 11.4 p -60.06 -35.34 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.1 mm? -60.71 -48.53 81.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.6 t90 -65.42 -42.82 92.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -60.88 -47.73 85.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.698 ' CD1' HG22 ' A' ' 37' ' ' VAL . 48.1 mt -60.14 -49.66 83.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 38' ' ' LEU . 83.0 t -54.62 -58.72 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.059 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -54.98 -45.87 75.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.8 ttp -60.55 -31.72 70.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -71.92 -51.21 23.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -67.89 -28.79 67.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -54.97 -40.07 69.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.79 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.1 mt -54.52 -28.49 45.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 71.0 m -97.83 32.86 2.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t30 62.75 26.81 15.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.81 37.22 61.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.443 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -98.5 103.89 15.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.0 p -55.61 -34.77 65.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -28.39 67.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.1 t -63.04 -29.21 70.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.8 mtp -69.09 -46.03 68.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -100.35 26.26 6.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -76.47 -54.42 6.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.529 ' CG ' HD21 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -135.02 26.21 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.814 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.484 ' HA ' ' HB3' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -75.53 -26.51 58.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.81 -32.16 30.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.529 HD21 ' CG ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -104.74 -33.56 8.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.927 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' A' ' 60' ' ' ASP . . . -53.92 -42.82 69.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.054 179.866 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -55.28 -26.46 40.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -108.53 26.29 10.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -131.54 25.42 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.39 129.44 55.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.85 22.06 16.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 mt -83.98 154.73 64.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.633 0.73 . . . . 0.0 110.931 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.75 2.3 . . . . 0.0 112.333 179.812 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.3 pttm . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.778 0.323 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.2 mt 70.81 -69.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.05 -50.02 59.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.5 m -54.51 -52.23 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.59 -45.04 97.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.598 HD13 HG12 ' A' ' 129' ' ' ILE . 18.4 mt -56.74 -45.49 81.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.848 0.356 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.1 -49.17 75.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -56.56 -56.54 20.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.757 ' HB3' HD13 ' A' ' 176' ' ' LEU . 23.5 m-85 -54.2 -47.19 72.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.811 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -54.2 -48.55 70.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -37.5 86.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.775 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.526 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.9 m-85 -62.62 -64.52 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.403 HD23 HD22 ' A' ' 176' ' ' LEU . 1.5 pp -54.8 -36.97 65.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -66.8 -36.91 83.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.761 ' CE1' HG22 ' A' ' 154' ' ' THR . 13.1 t80 -68.28 -52.05 38.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.99 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.5 ptm -67.81 -30.83 70.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.86 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.611 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -53.94 -38.4 64.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.905 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.93 -37.42 79.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.97 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -115.84 89.25 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 107' ' ' LYS . 11.6 mt -149.14 177.92 9.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.37 -175.94 5.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.22 -51.19 68.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.91 -47.69 61.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.566 ' HB3' HD13 ' A' ' 110' ' ' LEU . 9.0 mttt -55.73 -36.48 67.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -53.0 26.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.896 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -52.02 -46.71 65.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -72.38 -36.89 68.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.07 -47.13 75.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.026 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -55.79 -41.04 73.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 84.5 t -70.85 -32.77 49.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.446 HD11 HG13 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -68.86 -52.12 33.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -34.42 78.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.993 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 34.1 mtp85 -66.04 -52.24 50.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -60.1 -45.05 94.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.7 HG22 ' CD1' ' A' ' 129' ' ' ILE . 24.7 m -57.81 -51.11 70.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.62 -39.27 80.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.0 m -63.86 -56.1 17.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.531 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -60.66 -31.01 70.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.953 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.7 ' CD1' HG22 ' A' ' 125' ' ' THR . 51.6 mt -70.44 -40.32 77.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.839 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.6 -38.18 73.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 39.1 mt -67.55 -51.03 55.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.17 -47.84 78.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -60.17 -41.79 93.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -63.46 -47.82 80.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.13 -52.11 66.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.8 m -66.69 -28.34 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.2 -40.3 78.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -75.58 -42.49 51.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 120.895 0.379 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . 0.435 ' O ' HG23 ' A' ' 154' ' ' THR . 2.6 t30 -51.05 -46.49 61.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -57.37 -53.28 59.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.9 mp -51.99 -54.89 24.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.59 -63.68 1.06 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.761 HG22 ' CE1' ' A' ' 105' ' ' TYR . 52.5 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.847 0.356 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -59.08 -27.55 65.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.69 -26.61 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -69.4 -68.97 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.8 m -48.6 -45.15 37.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.9 mm -62.83 -45.3 99.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -63.61 -30.84 71.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.07 -55.29 8.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.526 HD12 ' HB3' ' A' ' 102' ' ' TYR . 13.4 pt -59.02 -39.55 78.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.113 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.75 -46.61 71.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . 0.483 ' HZ3' ' HB1' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -57.09 -52.06 66.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.778 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.3 t -61.4 -43.7 98.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.757 HD13 ' HB3' ' A' ' 99' ' ' TYR . 18.5 tp -53.98 -55.53 26.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . 0.517 ' HG2' HD13 ' A' ' 38' ' ' LEU . 2.2 tm-20 -58.06 -54.11 50.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.64 ' O ' HG23 ' A' ' 182' ' ' VAL . 10.1 mt-10 -52.86 -41.79 64.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -62.31 -48.61 79.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 72.1 mt -56.32 -45.42 80.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . 0.56 ' HG2' HD11 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -61.19 -51.1 70.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 179.803 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 178' ' ' GLU . 58.6 t -58.58 -44.81 90.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 36.2 m -60.66 -43.35 97.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.422 HD23 HG13 ' A' ' 34' ' ' ILE . 1.1 tm? -61.64 -54.38 43.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 179.892 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -64.6 -25.97 68.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 11.0 t -71.93 -48.74 43.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 184' ' ' LEU . 8.9 t -68.04 -24.87 65.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.976 179.907 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.839 0.352 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 63.55 28.77 15.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 30' ' ' VAL . 1.3 p -98.58 170.96 8.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -51.75 -43.84 63.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.099 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -51.47 66.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -39.64 91.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 26' ' ' THR . 96.9 t -63.73 -54.11 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.674 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.2 -51.81 53.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.448 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.39 -37.43 94.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.569 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.546 HD13 HG21 ' A' ' 127' ' ' THR . 0.7 OUTLIER -65.48 -47.37 76.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 110.903 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.5 mt -62.14 -41.07 89.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 179.856 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 31' ' ' GLY . 59.5 p -64.61 -44.47 90.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.05 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -62.04 -55.17 31.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.632 HG22 HD11 ' A' ' 41' ' ' ILE . 13.6 p -59.73 -34.36 55.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.592 ' O ' HG23 ' A' ' 42' ' ' VAL . 13.2 mt -64.26 -48.13 76.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -63.92 -40.79 97.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -62.67 -45.81 91.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.982 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.632 HD11 HG22 ' A' ' 37' ' ' VAL . 26.8 mt -61.8 -46.95 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.08 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 38' ' ' LEU . 91.3 t -59.14 -46.4 92.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.15 -43.4 82.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.628 ' SD ' HD21 ' A' ' 173' ' ' LEU . 0.0 OUTLIER -65.44 -32.22 73.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.578 ' HA ' HD23 ' A' ' 173' ' ' LEU . 6.9 ttp180 -72.86 -51.18 19.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.773 -179.751 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -69.22 -28.73 66.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.996 179.936 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -59.62 -34.66 73.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.7 mt -54.06 -32.2 53.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.4 36.2 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 58.59 26.26 14.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.59 41.53 93.99 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -91.0 107.64 19.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.1 p -56.3 -26.68 53.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.946 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.14 -26.33 61.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.842 179.898 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -66.52 -26.77 67.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.6 mtp -64.76 -41.22 96.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -111.19 27.08 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -79.35 -64.74 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.815 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.0 23.38 13.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.57 26.98 4.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.54 -31.49 12.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.1 -26.59 7.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.486 ' HB1' ' CE1' ' A' ' 171' ' ' PHE . . . -60.6 -33.1 72.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.1 179.785 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -52.16 -30.53 27.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -116.28 30.15 7.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -143.26 30.13 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.792 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.56 HD22 HD12 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -101.23 -50.7 3.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 56.47 24.78 8.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.845 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.56 HD12 HD22 ' A' ' 67' ' ' LEU . 20.4 mt -81.72 159.25 66.81 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.633 0.73 . . . . 0.0 110.967 179.905 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.14 0 C-N-CA 122.685 2.257 . . . . 0.0 112.286 179.901 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.756 0.312 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.1 mt 70.91 -69.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 t -51.52 -50.2 60.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.9 t -56.19 -52.33 64.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.46 -45.91 94.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.581 HD13 HG12 ' A' ' 129' ' ' ILE . 20.8 mt -55.47 -50.33 70.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 -179.836 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -49.01 79.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.866 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -51.69 64.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -57.95 -46.44 85.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.91 -179.81 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -54.63 -47.38 73.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 p -64.34 -39.08 93.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.563 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.9 m-85 -60.59 -64.04 1.09 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.873 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 pp -54.86 -40.76 70.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.23 -34.05 77.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.575 ' CE1' HG22 ' A' ' 154' ' ' THR . 15.3 t80 -70.39 -52.06 25.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.986 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 8.4 ptm -68.76 -26.0 65.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.916 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -65.1 -30.37 71.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -59.94 -40.65 89.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -120.55 93.64 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.685 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.1 mt -147.63 178.03 8.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -78.64 -176.04 4.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -63.15 -51.17 67.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -71.22 -47.58 56.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.685 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.6 mmtm -55.72 -37.86 68.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -69.98 -49.5 50.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.815 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.45 -48.06 66.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.913 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -72.28 -37.47 69.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.86 -45.13 74.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.846 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -55.67 -49.7 72.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.1 t -60.81 -40.29 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.139 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.549 HD11 HG13 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -61.49 -49.57 76.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.0 tm0? -58.8 -51.31 70.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -53.8 -53.33 53.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -54.2 -45.97 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.685 HG22 ' CD1' ' A' ' 129' ' ' ILE . 10.5 m -56.52 -51.08 69.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -63.07 -28.46 70.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.546 HG21 HD13 ' A' ' 33' ' ' LEU . 96.8 m -69.61 -56.5 7.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.109 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 pp -62.72 -34.93 78.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.685 ' CD1' HG22 ' A' ' 125' ' ' THR . 80.0 mt -69.99 -42.15 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -65.42 -42.23 92.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 43.1 mt -65.98 -50.62 68.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -63.61 -49.62 72.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -59.41 -39.41 83.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -64.23 -49.43 71.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -57.89 -52.14 66.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.3 m -65.13 -30.45 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -43.44 83.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.87 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -76.98 -30.12 55.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.229 0.013 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -51.05 -40.55 58.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.23 77.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 14.9 mt -56.97 -50.24 73.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.35 -62.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.575 HG22 ' CE1' ' A' ' 105' ' ' TYR . 42.6 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.036 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 10.8 tp . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -54.43 -28.42 43.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.75 -26.37 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -69.75 -68.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.6 m -48.58 -45.69 38.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.8 mm -61.77 -50.15 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.235 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -62.25 -27.97 69.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 0.486 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -71.01 -55.34 8.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.943 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.563 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.9 pt -60.54 -37.08 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.628 HD21 ' SD ' ' A' ' 44' ' ' MET . 1.0 OUTLIER -67.4 -51.34 53.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.94 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -56.21 -50.65 70.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 23.0 p -59.91 -46.6 88.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.8 tp -53.38 -55.04 28.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.21 -55.06 37.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 182' ' ' VAL . 13.1 mm-40 -53.08 -41.85 65.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -60.02 -51.65 68.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.454 ' HB3' HD21 ' A' ' 38' ' ' LEU . 1.3 mp -55.43 -49.84 71.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . 0.481 ' HE2' HD22 ' A' ' 38' ' ' LEU . 11.5 mttt -55.3 -50.41 69.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 178' ' ' GLU . 82.3 t -60.94 -49.36 85.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.053 179.923 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 95.6 m -51.45 -47.58 63.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 -179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.552 ' HA ' HG22 ' A' ' 187' ' ' THR . 9.4 tp -68.51 -35.64 77.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.988 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -65.96 -29.73 70.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 47.6 t -82.48 -52.13 7.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.779 -179.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.552 HG22 ' HA ' ' A' ' 184' ' ' LEU . 10.8 t -61.4 -18.24 57.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 -179.849 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.954 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.8 t . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.915 0.388 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 63.68 54.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.538 HG23 ' H ' ' A' ' 29' ' ' GLN . 2.7 t -114.77 159.77 20.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.0 p -51.21 -43.73 61.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.18 -51.75 66.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.813 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.538 ' H ' HG23 ' A' ' 26' ' ' THR . 1.1 tm0? -60.32 -42.63 96.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.3 t -62.21 -54.26 36.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.731 ' O ' HG23 ' A' ' 35' ' ' THR . . . -53.82 -52.39 42.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.46 -38.68 96.17 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.507 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.708 HD11 ' HB ' ' A' ' 127' ' ' THR . 10.5 tt -64.89 -42.81 94.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.767 0.317 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.513 HD13 ' HB2' ' A' ' 184' ' ' LEU . 96.8 mt -64.4 -41.59 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.02 0.438 . . . . 0.0 111.165 179.834 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 31' ' ' GLY . 34.3 p -63.86 -46.87 83.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.049 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -62.29 -55.21 30.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.597 HG22 HD11 ' A' ' 41' ' ' ILE . 7.5 p -59.31 -32.77 49.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.667 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.9 mt -65.64 -48.44 72.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.1 t90 -63.36 -42.45 98.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.76 -49.14 77.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.597 HD11 HG22 ' A' ' 37' ' ' VAL . 37.2 mt -58.46 -46.36 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 38' ' ' LEU . 93.7 t -58.62 -46.9 90.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 179.898 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -42.0 90.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.9 ttt -66.99 -32.04 73.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -51.03 22.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.4 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -70.25 -28.93 65.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.93 -35.58 61.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.467 HD12 ' HE3' ' A' ' 114' ' ' LYS . 9.5 mp -57.02 -27.08 61.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.61 27.79 8.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.1 t30 63.21 37.95 10.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.11 42.29 54.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -99.0 112.29 24.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.68 -27.32 39.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.01 -26.39 67.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.826 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.78 -28.13 36.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.4 mmm -72.74 -29.2 63.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -118.24 28.42 8.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -89.93 -63.87 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -111.52 24.19 13.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.894 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.94 -25.83 43.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.06 -24.75 47.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 pp -102.48 -26.01 13.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 59' ' ' ASP . . . -51.68 -30.78 23.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.155 179.828 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -27.29 37.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -112.75 25.59 11.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -147.18 24.68 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.83 -62.19 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.68 19.21 7.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.41 161.02 55.58 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.648 0.737 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.834 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.813 0.339 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.7 mt 70.97 -69.16 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.32 -50.21 59.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 -179.906 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -56.33 -52.65 63.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.86 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.3 -50.93 62.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.0 mp -51.86 -46.98 64.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.343 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -49.15 78.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.003 179.805 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -53.33 59.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.422 ' CB ' HD13 ' A' ' 176' ' ' LEU . 26.4 m-85 -54.25 -50.17 67.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.832 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.471 ' HA ' HD21 ' A' ' 103' ' ' LEU . 8.6 t-80 -54.29 -45.07 72.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.898 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 p -62.2 -39.73 93.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.737 ' HB3' HD12 ' A' ' 172' ' ' ILE . 22.7 m-85 -63.46 -63.85 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.8 pp -51.77 -38.53 55.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.568 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.3 mm-40 -67.63 -37.27 82.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -66.39 -44.47 82.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 -179.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.5 ttp -74.92 -30.96 61.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -60.64 -25.94 66.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -35.33 76.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -130.03 98.53 4.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.601 HD13 ' HB3' ' A' ' 114' ' ' LYS . 6.8 mt -148.9 173.78 12.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -68.03 -176.18 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -62.23 -51.16 68.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -75.96 -43.93 42.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.601 ' HB3' HD13 ' A' ' 110' ' ' LEU . 20.9 mmtm -55.86 -36.85 68.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -53.08 23.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -52.03 -45.95 64.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -72.52 -39.13 67.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.9 -44.0 73.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.069 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 25.9 ttt85 -55.84 -49.36 73.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 73.3 t -61.68 -43.19 96.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.64 -47.23 86.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.491 ' HA ' HD13 ' A' ' 103' ' ' LEU . 1.0 OUTLIER -60.72 -50.84 71.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.904 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -53.09 57.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -54.26 44.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.7 m -54.42 -48.66 71.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.133 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -54.58 -45.88 73.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.708 ' HB ' HD11 ' A' ' 33' ' ' LEU . 57.4 m -61.25 -56.07 24.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' ' 129' ' ' ILE . 0.1 OUTLIER -52.75 -51.74 59.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.884 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.623 ' N ' HD23 ' A' ' 128' ' ' LEU . 56.5 mt -61.15 -33.77 57.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -48.07 75.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 44.3 mt -65.66 -46.7 88.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -63.72 -50.01 70.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -59.29 -40.11 85.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -63.56 -48.93 75.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -58.23 -52.14 66.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.5 p -65.38 -30.9 51.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -65.96 -43.81 86.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -79.33 -26.77 42.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.803 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 15.0 tp . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 -179.997 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.734 ' O ' HD12 ' A' ' 153' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.458 -0.039 0 CA-C-O 120.946 0.403 . . . . 0.0 110.863 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -49.97 -44.59 50.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.33 -36.01 76.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.045 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 34.4 mt -67.76 -54.72 17.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 149' ' ' SER . 1.6 mp -54.56 -53.76 50.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.95 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 47.2 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.939 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.815 0.34 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -24.85 46.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -48.79 -26.53 2.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -69.54 -68.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.3 m -48.39 -36.98 15.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.214 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 34.2 mm -67.42 -53.05 35.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.28 -25.04 67.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -72.76 -55.19 7.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.737 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.3 pt -63.46 -36.08 74.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.61 -52.39 38.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.812 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -57.06 -46.68 82.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 179.838 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.9 t -60.48 -47.52 85.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.422 HD13 ' CB ' ' A' ' 99' ' ' TYR . 8.5 tp -54.93 -56.33 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . 0.511 ' OE2' HD22 ' A' ' 38' ' ' LEU . 4.6 tm-20 -53.39 -50.93 64.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.56 ' O ' HG22 ' A' ' 182' ' ' VAL . 0.1 OUTLIER -59.97 -33.94 72.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.956 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -73.12 -29.25 62.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 8.7 mt -74.48 -50.39 18.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -60.38 -45.19 94.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.847 179.863 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 178' ' ' GLU . 33.4 m -66.87 -39.3 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.412 ' N ' HG23 ' A' ' 182' ' ' VAL . 6.2 m -63.62 -43.7 96.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.513 ' HB2' HD13 ' A' ' 34' ' ' ILE . 3.1 tm? -71.43 -36.2 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 18.1 ttt85 -68.9 -40.66 79.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.04 -52.14 21.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.797 -179.74 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.429 HG22 ' HA ' ' A' ' 184' ' ' LEU . 14.1 t -58.46 -23.27 57.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.073 -179.916 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 -179.975 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.64 HG22 HG23 ' A' ' 26' ' ' THR . 7.1 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.837 0.351 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 63.46 46.1 4.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.683 ' O ' HG23 ' A' ' 30' ' ' VAL . 68.2 p -119.82 166.22 13.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.253 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.2 p -51.66 -41.26 61.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.17 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -61.38 -51.67 67.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -38.8 90.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 26' ' ' THR . 95.3 t -62.16 -54.18 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.712 ' O ' HG23 ' A' ' 35' ' ' THR . . . -58.27 -51.94 55.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.43 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.02 -40.91 94.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.47 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.528 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.9 OUTLIER -64.33 -48.19 76.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.727 0.299 . . . . 0.0 110.91 -179.896 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.507 HG21 ' HG ' ' A' ' 184' ' ' LEU . 24.3 mm -57.19 -42.49 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 179.844 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 31' ' ' GLY . 30.0 p -64.82 -45.57 85.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -62.0 -55.23 31.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.885 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.595 HG22 HD11 ' A' ' 41' ' ' ILE . 10.5 p -59.49 -34.05 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.578 HD21 ' HB3' ' A' ' 180' ' ' LEU . 11.0 mt -64.17 -48.53 75.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.2 t90 -63.46 -41.32 98.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.79 -45.86 92.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.595 HD11 HG22 ' A' ' 37' ' ' VAL . 25.2 mt -61.53 -46.33 96.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 38' ' ' LEU . 99.0 t -59.57 -44.66 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.08 -41.91 76.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.7 ttt -66.82 -31.82 72.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -74.65 -50.24 18.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -69.69 -28.87 66.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.897 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -54.04 -35.62 62.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.2 mt -56.1 -30.43 62.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.7 m -96.52 28.8 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 61.02 30.7 19.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.73 44.0 98.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.616 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -100.74 108.92 20.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.8 t -54.98 -27.73 46.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -35.58 81.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.35 -36.27 81.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.8 mtp -57.89 -45.24 86.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -103.14 25.89 8.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -86.01 -66.08 0.94 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.07 26.5 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -97.85 28.74 3.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.18 -25.37 14.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.01 -40.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.2 -40.04 70.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.852 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -64.56 -31.68 73.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -108.19 35.31 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.975 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -152.38 26.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.4 132.4 33.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.5 -14.0 18.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.855 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.556 HD23 ' HE1' ' A' ' 99' ' ' TYR . 8.6 mp -63.82 160.54 44.87 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.649 0.738 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.214 0 C-N-CA 122.634 2.223 . . . . 0.0 112.357 179.921 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.2 mttt . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.724 0.297 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mt 71.0 -69.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.87 -50.09 57.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.5 t -54.31 -52.32 61.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -179.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.8 -44.76 96.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.599 HD22 ' CG1' ' A' ' 129' ' ' ILE . 20.5 mt -56.56 -49.05 75.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.367 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -48.97 79.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.896 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.78 -50.71 69.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.556 ' HE1' HD23 ' A' ' 69' ' ' LEU . 20.4 m-85 -58.98 -47.32 85.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.782 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -54.34 -47.19 72.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.8 m -64.34 -39.53 94.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.819 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.544 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.6 m-85 -60.23 -64.46 0.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.898 -179.826 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.407 HD12 ' HG2' ' A' ' 104' ' ' GLU . 1.4 pp -54.86 -42.6 72.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.407 ' HG2' HD12 ' A' ' 103' ' ' LEU . 4.3 mm-40 -62.13 -34.41 76.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.968 179.87 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.716 ' CE1' HG22 ' A' ' 154' ' ' THR . 15.6 t80 -69.83 -51.98 28.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 -179.867 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.5 ptt? -67.28 -26.91 66.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.562 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -61.24 -32.92 72.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.903 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -59.99 -42.32 93.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -112.34 88.79 2.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.983 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.624 HD22 ' CB ' ' A' ' 114' ' ' LYS . 9.6 mt -149.04 177.65 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -175.92 5.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.99 179.816 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.14 -51.19 68.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.863 179.825 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -68.49 -49.55 58.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.624 ' CB ' HD22 ' A' ' 110' ' ' LEU . 19.1 mmtm -55.6 -40.89 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -67.0 -49.8 64.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -49.8 62.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -71.67 -35.68 70.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.83 -48.08 73.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.072 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -55.53 -43.26 75.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.62 -35.6 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.07 -51.05 59.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -62.17 -40.42 95.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -62.49 -53.21 58.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.5 -47.02 76.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.638 HG22 ' CD1' ' A' ' 129' ' ' ILE . 7.0 m -58.87 -47.8 83.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.104 -179.905 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -60.81 -33.17 72.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.813 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.576 HG22 HD11 ' A' ' 131' ' ' ILE . 4.2 m -68.68 -56.28 8.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.528 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -59.96 -32.76 71.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.638 ' CD1' HG22 ' A' ' 125' ' ' THR . 66.6 mt -70.86 -45.45 73.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.067 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -64.29 -36.87 85.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.795 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.576 HD11 HG22 ' A' ' 127' ' ' THR . 13.1 mt -69.25 -52.47 32.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.409 ' O ' HG13 ' A' ' 136' ' ' VAL . 3.4 m-85 -64.23 -44.25 92.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.784 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -43.27 98.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -63.86 -43.03 97.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -52.04 65.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 132' ' ' PHE . 18.3 m -66.53 -30.35 49.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -68.57 -42.46 78.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -77.71 -29.94 51.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.84 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 28.8 tp . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 -179.961 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.886 0.375 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -51.32 -47.18 62.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.29 -54.03 50.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.2 mp -51.72 -53.41 39.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.96 -64.2 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.9 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.716 HG22 ' CE1' ' A' ' 105' ' ' TYR . 70.1 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.805 0.336 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -64.77 -42.26 95.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.91 -26.46 5.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.055 -179.842 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -69.08 0.36 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.6 m -48.52 -45.16 36.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.196 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.4 ' O ' HD23 ' A' ' 173' ' ' LEU . 39.4 mm -62.72 -46.05 97.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.246 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.77 -31.95 73.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -55.11 10.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.544 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.5 pt -60.3 -35.98 65.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.177 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 169' ' ' ILE . 2.9 mm? -67.41 -54.93 16.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.873 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -54.75 -47.62 73.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.3 t -61.83 -45.09 95.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.783 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.553 HD13 ' HB3' ' A' ' 99' ' ' TYR . 12.3 tp -54.86 -57.92 9.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -55.4 -53.02 61.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.562 ' O ' HG23 ' A' ' 182' ' ' VAL . 8.5 mt-10 -52.79 -49.32 65.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -60.83 -35.13 75.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.81 -179.835 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.578 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -63.67 -61.12 2.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -54.06 -45.62 71.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.818 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 178' ' ' GLU . 85.3 t -61.1 -52.84 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.123 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 87.3 m -55.22 -36.15 65.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.178 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.507 ' HG ' HG21 ' A' ' 34' ' ' ILE . 2.2 tm? -67.2 -55.99 11.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.54 -22.83 67.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 6.7 m -77.11 -48.03 18.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.7 t -71.21 -24.7 62.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.196 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 40.6 mtp85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 180.0 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.414 HG12 HG23 ' A' ' 26' ' ' THR . 22.6 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.864 0.364 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 63.53 27.4 15.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.414 HG23 HG12 ' A' ' 24' ' ' VAL . 1.2 p -99.08 172.81 7.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.3 p -51.65 -43.27 62.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.42 -51.55 67.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.776 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -61.1 -39.28 89.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 26' ' ' THR . 90.9 t -64.69 -53.46 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.256 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.87 -52.15 50.61 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.43 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.29 -37.84 95.5 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.627 HD11 ' HB ' ' A' ' 127' ' ' THR . 9.4 tt -68.09 -35.78 78.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.828 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.48 ' CD1' HD22 ' A' ' 184' ' ' LEU . 63.8 mt -68.92 -48.66 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.1 t -63.97 -38.82 92.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -65.73 -55.25 18.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.539 HG22 HD11 ' A' ' 41' ' ' ILE . 7.0 p -60.86 -32.99 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.607 ' O ' HG23 ' A' ' 42' ' ' VAL . 12.6 mt -66.12 -48.6 70.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -62.83 -42.69 99.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.56 -47.78 83.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.539 HD11 HG22 ' A' ' 37' ' ' VAL . 36.8 mt -58.82 -48.33 86.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 38' ' ' LEU . 84.7 t -56.55 -52.81 48.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.093 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -56.69 -46.73 81.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -31.92 73.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -67.53 -51.31 52.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.2 pttt -72.22 -28.64 63.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -53.95 -34.24 59.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.545 HD12 ' HE3' ' A' ' 114' ' ' LYS . 7.3 mp -60.93 -28.22 68.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.6 m -96.51 27.2 3.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 61.97 28.09 17.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.38 45.06 96.71 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.519 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -100.31 112.12 24.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.84 0.353 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 p -54.84 -28.7 51.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 -179.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -63.26 -40.02 96.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -36.72 79.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.9 mtp -59.11 -30.77 68.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -120.05 26.01 9.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -86.55 -61.98 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.71 23.5 13.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -99.39 32.5 2.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.14 -26.42 7.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.065 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.32 -40.77 4.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.62 -32.1 64.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.131 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.11 -27.28 66.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -121.05 27.55 8.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -145.29 26.12 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.47 156.19 21.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.52 -24.58 8.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.777 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.11 160.52 47.57 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.634 0.731 . . . . 0.0 110.951 179.832 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.618 2.212 . . . . 0.0 112.4 179.901 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.4 mttt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.71 0.29 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.582 HG23 ' CZ ' ' A' ' 179' ' ' PHE . 79.0 mt -110.4 -22.38 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.888 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 83.3 p -63.37 -50.07 71.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.0 m -56.65 -52.0 66.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.52 -51.81 56.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.522 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.593 HD22 HG12 ' A' ' 129' ' ' ILE . 57.1 mt -59.31 -47.39 85.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.551 HD23 ' N ' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -59.76 -49.0 79.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.859 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.551 ' N ' HD23 ' A' ' 97' ' ' LEU . 12.5 mt-10 -55.06 -50.35 69.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -57.41 -48.29 79.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -54.1 -46.87 72.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.6 p -63.41 -40.16 96.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.824 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -60.88 -64.46 0.95 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 122' ' ' GLN . 2.0 pp -53.66 -40.04 65.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.426 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.7 OUTLIER -62.69 -38.63 91.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.951 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.453 ' CE1' HG22 ' A' ' 154' ' ' THR . 40.8 t80 -68.77 -42.46 77.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.429 ' HG2' HD11 ' A' ' 110' ' ' LEU . 2.8 ttt -70.8 -37.89 73.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -25.9 66.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.976 179.871 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -60.88 -39.01 87.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -131.8 99.45 4.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 114' ' ' LYS . 7.8 mt -148.29 171.21 16.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -68.82 -176.0 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.59 -51.03 68.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -74.29 -45.2 49.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.603 ' HB3' HD22 ' A' ' 110' ' ' LEU . 21.3 mmtm -56.0 -38.18 70.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -67.75 -51.1 53.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.851 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -53.33 -48.25 68.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -70.54 -39.36 74.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.9 -44.51 74.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.074 179.816 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -55.67 -49.45 72.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 77.3 t -61.36 -43.16 96.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.58 -49.88 73.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.481 ' HA ' HD13 ' A' ' 103' ' ' LEU . 11.9 tm0? -60.87 -50.04 75.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.895 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.95 -53.12 57.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.895 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.17 -55.0 36.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.42 HG22 ' CD1' ' A' ' 129' ' ' ILE . 5.5 m -53.32 -50.55 64.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.067 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.69 -41.83 70.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.627 ' HB ' HD11 ' A' ' 33' ' ' LEU . 31.1 m -61.94 -53.75 51.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.133 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.634 HD23 ' N ' ' A' ' 129' ' ' ILE . 0.3 OUTLIER -58.4 -52.24 66.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 179.955 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.634 ' N ' HD23 ' A' ' 128' ' ' LEU . 86.2 mt -54.5 -41.88 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.84 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -63.1 -46.94 84.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 41.4 mt -62.07 -53.08 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.532 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.4 m-85 -60.99 -41.52 96.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.899 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -59.84 -46.62 88.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -62.42 -49.98 73.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.63 -51.99 67.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.995 -179.884 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 132' ' ' PHE . 94.6 t -63.03 -31.48 52.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -41.56 77.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.28 -39.12 71.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 179.972 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.623 ' O ' HD12 ' A' ' 153' ' ' LEU . 4.8 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.949 0.404 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -51.75 -44.67 63.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.99 -40.88 95.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.09 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 28.0 mt -62.68 -56.11 20.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 149' ' ' SER . 1.0 OUTLIER -54.47 -56.61 17.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.918 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.453 HG22 ' CE1' ' A' ' 105' ' ' TYR . 80.8 p . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.785 0.326 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.07 -26.12 59.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.82 -26.44 5.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -69.63 -69.02 0.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.847 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.1 m -48.37 -45.58 35.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.9 mm -62.36 -47.58 92.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.204 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -60.84 -30.73 70.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.811 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -71.56 -55.31 8.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 16.2 pt -60.46 -37.79 75.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.177 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.405 ' CD1' HG23 ' A' ' 41' ' ' ILE . 3.6 mm? -67.44 -58.58 4.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.825 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -56.98 -41.66 78.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.784 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 72.4 m -62.19 -46.99 86.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.489 HD12 HD13 ' A' ' 180' ' ' LEU . 15.2 tp -58.35 -58.15 9.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.37 -46.99 66.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -59.59 -41.19 89.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 -179.917 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.582 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 60.3 t80 -66.87 -31.56 72.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.873 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.489 HD13 HD12 ' A' ' 176' ' ' LEU . 5.2 mp -70.78 -52.16 22.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -59.13 -46.07 89.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.39 -35.29 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.3 m -63.12 -46.61 86.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.559 ' HA ' HG22 ' A' ' 187' ' ' THR . 9.3 tp -72.09 -36.06 69.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -67.54 -31.36 71.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.07 -49.68 9.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.559 HG22 ' HA ' ' A' ' 184' ' ' LEU . 7.0 t -62.75 -19.19 63.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.135 -179.88 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 49.1 mtm180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.948 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.84 0.353 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 60.65 38.7 18.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.9 p -112.71 167.64 10.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.72 -36.15 34.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.915 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.25 -43.34 74.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.743 -179.786 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -62.69 -50.93 69.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.982 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 31' ' ' GLY . 18.9 m -60.73 -43.23 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.905 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.702 ' O ' HG23 ' A' ' 35' ' ' THR . . . -59.2 -53.14 48.82 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.35 -39.31 97.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.39 -179.914 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 128' ' ' LEU . 9.9 tt -65.33 -45.23 85.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.338 . . . . 0.0 110.945 -179.895 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.527 HG21 ' HG ' ' A' ' 184' ' ' LEU . 12.8 mm -59.32 -41.8 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.772 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 31' ' ' GLY . 29.8 p -66.3 -44.92 82.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -57.89 -55.24 37.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.686 HG22 ' CD1' ' A' ' 41' ' ' ILE . 8.0 p -59.43 -38.38 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.05 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.932 HD22 HD23 ' A' ' 180' ' ' LEU . 0.6 OUTLIER -56.82 -49.07 76.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.978 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -65.65 -43.82 88.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.969 179.851 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.502 ' HB3' HD11 ' A' ' 121' ' ' LEU . 1.7 mm-40 -60.11 -43.51 95.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.686 ' CD1' HG22 ' A' ' 37' ' ' VAL . 57.1 mt -63.0 -46.89 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 38' ' ' LEU . 97.6 t -58.53 -41.85 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.853 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -72.84 -42.98 63.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 -179.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.4 ttt -65.37 -31.52 72.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -77.11 -51.19 11.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.21 -28.6 68.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -55.02 -40.82 70.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.1 mt -53.96 -29.38 42.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.9 m -96.04 31.69 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.785 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.4 t30 59.31 26.53 15.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.72 43.49 98.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.524 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -98.76 117.33 32.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -26.82 63.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.827 -179.87 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -35.99 82.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -26.49 67.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.3 mtp -65.85 -38.48 88.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.859 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -113.13 29.36 8.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -86.98 -50.83 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.99 23.17 14.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -99.52 32.0 2.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.99 -26.18 6.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.162 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.23 -38.77 2.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.65 -31.96 66.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -54.17 -28.36 39.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -126.6 40.76 3.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -153.18 27.0 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.58 135.65 33.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -72.6 -26.05 61.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 mt -80.1 154.99 75.08 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.713 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.158 0 C-N-CA 122.679 2.253 . . . . 0.0 112.388 179.835 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.8 mttp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.751 0.31 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 69.1 mt -113.47 -25.59 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.211 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.55 -50.13 66.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.9 t -57.19 -48.52 78.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.818 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.13 -52.09 54.86 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 16.7 mt -61.18 -54.51 43.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 0.0 110.937 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.6 -48.18 75.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.973 179.862 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -54.05 -55.14 30.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.77 ' HB3' HD13 ' A' ' 176' ' ' LEU . 15.4 m-85 -54.11 -45.67 71.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.846 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.405 ' HA ' HD21 ' A' ' 103' ' ' LEU . 40.2 t-80 -56.95 -43.26 81.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -38.68 89.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.822 -179.794 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.564 ' HE1' HD13 ' A' ' 153' ' ' LEU . 13.8 m-85 -62.1 -58.33 8.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.849 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.8 pp -59.33 -37.96 79.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.564 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.7 OUTLIER -60.24 -47.75 84.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.96 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.796 ' CE1' HG22 ' A' ' 154' ' ' THR . 2.7 t80 -64.66 -45.02 88.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.837 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 13.3 ttp -66.91 -26.13 66.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.405 ' HA ' HD12 ' A' ' 110' ' ' LEU . 9.0 tmtt? -69.47 -28.61 66.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.37 -29.22 70.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -132.45 94.51 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.681 HD22 ' HB3' ' A' ' 114' ' ' LYS . 6.5 mt -148.95 173.96 12.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.13 -179.04 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.858 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.39 -51.05 70.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 179.928 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -76.1 -43.64 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.681 ' HB3' HD22 ' A' ' 110' ' ' LEU . 21.7 mmtm -55.73 -36.3 67.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.798 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -71.35 -50.55 31.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.71 -47.67 67.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -71.49 -39.22 71.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.1 -43.79 74.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.045 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -55.35 -49.9 71.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.803 -179.853 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 71.3 t -61.9 -42.31 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.502 HD11 ' HB3' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -55.36 -48.8 73.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.922 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -65.13 -41.58 94.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.92 -55.47 26.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.03 -38.61 91.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.6 HG22 HD12 ' A' ' 129' ' ' ILE . 91.4 m -58.36 -45.37 88.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -179.928 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -68.57 -38.56 80.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.5 m -64.79 -56.24 14.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.528 ' HA ' HD12 ' A' ' 131' ' ' ILE . 3.1 pp -61.37 -39.4 90.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.823 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.6 HD12 HG22 ' A' ' 125' ' ' THR . 21.7 mt -64.6 -38.34 82.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.883 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -68.35 -42.25 79.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 128' ' ' LEU . 7.7 mt -63.03 -52.09 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.572 ' O ' HG23 ' A' ' 136' ' ' VAL . 2.5 m-85 -62.14 -43.93 97.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -58.45 -45.3 88.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -54.18 44.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -44.18 72.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 132' ' ' PHE . 94.8 t -69.02 -35.22 67.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -64.87 -37.89 89.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.0 -22.1 24.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.782 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 16.7 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.877 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.835 0.35 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -51.51 -51.1 58.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -51.51 -50.95 58.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.18 179.856 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.6 mp -55.61 -49.06 73.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.564 HD13 ' HE1' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -54.44 -63.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.989 179.895 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.796 HG22 ' CE1' ' A' ' 105' ' ' TYR . 54.2 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.181 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.786 0.327 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 18.6 ttt85 -81.7 -55.13 4.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.8 -26.72 10.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -69.43 -69.89 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.809 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 95.4 m -48.98 -44.96 41.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.093 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.82 -49.67 83.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.161 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -59.72 -31.53 69.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -55.24 10.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.543 HD12 ' HB3' ' A' ' 102' ' ' TYR . 20.0 pt -62.18 -35.86 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.38 -49.36 64.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -59.59 -52.09 67.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -38.78 88.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.77 HD13 ' HB3' ' A' ' 99' ' ' TYR . 12.1 tp -59.29 -57.98 10.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . 0.432 ' HG2' HD13 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -57.03 -52.47 65.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 182' ' ' VAL . 2.9 mt-10 -54.6 -50.43 68.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -61.9 -32.74 73.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.813 -179.913 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.932 HD23 HD22 ' A' ' 38' ' ' LEU . 6.3 tp -64.9 -59.79 3.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -55.72 -44.95 77.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 178' ' ' GLU . 80.1 t -59.52 -44.78 93.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 84.5 m -61.11 -46.89 88.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.527 ' HG ' HG21 ' A' ' 34' ' ' ILE . 1.1 tm? -58.45 -53.12 61.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -63.46 -33.95 76.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 29.1 t -64.21 -51.6 62.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 184' ' ' LEU . 10.3 t -66.86 -20.41 65.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . 0.508 ' HG3' HD13 ' A' ' 184' ' ' LEU . 1.5 mmp_? . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.4 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.789 0.328 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 63.52 29.36 15.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.535 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -102.35 161.07 13.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.144 179.934 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.5 p -51.61 -48.22 63.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.7 m -52.18 -51.44 58.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 -179.797 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -42.03 98.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 26' ' ' THR . 94.7 t -60.64 -54.08 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.721 ' O ' HG23 ' A' ' 35' ' ' THR . . . -57.13 -51.95 54.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.536 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.97 -40.46 93.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.541 HD11 ' HB ' ' A' ' 127' ' ' THR . 1.0 OUTLIER -63.84 -48.2 77.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.798 0.332 . . . . 0.0 110.858 -179.862 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.47 HD13 ' HB2' ' A' ' 184' ' ' LEU . 59.4 mt -57.98 -42.83 83.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.847 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 31' ' ' GLY . 30.0 p -63.73 -45.15 91.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.176 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -58.11 -55.21 37.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.703 HG22 HD11 ' A' ' 41' ' ' ILE . 9.2 p -60.18 -34.62 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.679 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -60.39 -48.72 80.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.933 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -65.69 -43.74 88.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -59.36 -44.92 92.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.703 HD11 HG22 ' A' ' 37' ' ' VAL . 41.6 mt -63.35 -50.26 79.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.08 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 38' ' ' LEU . 87.5 t -53.27 -54.84 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -58.82 -43.8 90.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.6 ttt -63.24 -31.77 73.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -71.09 -50.99 27.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -69.42 -28.52 66.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -58.21 -29.89 66.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.985 179.878 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.487 HD23 ' CE ' ' A' ' 114' ' ' LYS . 25.8 mt -59.19 -35.06 72.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.2 m -96.1 35.14 1.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.9 t30 62.71 26.2 15.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.33 42.54 90.06 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -97.67 118.75 34.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.4 p -61.7 -29.6 70.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.56 -35.21 79.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.58 -26.68 66.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 21.8 mtp -62.53 -38.27 89.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -116.13 28.7 8.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -90.11 -62.8 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.58 26.76 4.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -104.57 26.87 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.93 -30.61 6.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.408 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -106.33 -31.45 8.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.931 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.27 -28.52 69.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.823 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -61.72 -30.97 71.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -104.83 26.43 9.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.968 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -141.26 26.2 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.789 HD11 ' HE3' ' A' ' 174' ' ' LYS . 12.0 mt -116.44 123.96 48.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -115.53 26.47 10.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.801 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.49 HD23 ' HE1' ' A' ' 99' ' ' TYR . 8.6 mp -83.97 160.55 57.72 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.67 0.748 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.193 0 C-N-CA 122.734 2.289 . . . . 0.0 112.316 179.847 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 mptt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.737 0.303 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.9 mt 71.22 -68.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.14 179.848 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.4 m -50.69 -50.26 55.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.97 -52.45 63.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.791 -179.821 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.88 -45.02 95.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.417 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.606 HD13 HG12 ' A' ' 129' ' ' ILE . 20.7 mt -56.5 -46.83 80.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.362 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -49.26 78.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.972 179.811 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.61 -55.92 27.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.718 ' HB3' HD13 ' A' ' 176' ' ' LEU . 23.6 m-85 -55.22 -46.13 75.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.818 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -54.13 -48.0 71.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.72 -39.75 95.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.767 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.561 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.6 m-85 -60.15 -64.27 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.557 HD23 HD22 ' A' ' 176' ' ' LEU . 1.6 pp -55.11 -36.97 66.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -35.3 80.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -70.54 -52.01 24.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.024 -179.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.698 ' HE1' HD11 ' A' ' 110' ' ' LEU . 4.7 ppp? -66.71 -27.92 68.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.931 179.814 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -64.28 -29.16 70.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.96 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -59.9 -40.25 88.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -125.74 96.94 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.698 HD11 ' HE1' ' A' ' 106' ' ' MET . 6.0 mt -146.66 177.97 8.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -77.85 -176.01 4.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -62.7 -51.37 67.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.836 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.66 -48.04 50.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.771 -179.859 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.681 ' CB ' HD22 ' A' ' 110' ' ' LEU . 20.7 mmtm -55.69 -34.49 65.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -68.52 -45.17 72.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.15 -46.18 90.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.825 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.449 ' O ' HD13 ' A' ' 121' ' ' LEU . 10.9 mmpt? -72.07 -32.08 66.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.75 88.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.07 179.844 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -61.99 -49.37 76.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.19 -32.24 56.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.449 HD13 ' O ' ' A' ' 117' ' ' LYS . 2.0 mp -65.15 -51.81 58.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -64.69 -39.85 94.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -61.03 -52.04 66.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -58.66 -47.77 83.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.621 HG22 ' CD1' ' A' ' 129' ' ' ILE . 15.4 m -54.99 -51.04 67.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.159 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.6 -36.16 75.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.541 ' HB ' HD11 ' A' ' 33' ' ' LEU . 12.3 m -63.9 -56.17 17.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.411 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -61.84 -31.07 71.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.621 ' CD1' HG22 ' A' ' 125' ' ' THR . 63.1 mt -70.97 -39.16 74.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -38.2 71.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.4 mt -68.87 -48.54 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.186 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.561 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.6 m-85 -65.68 -45.17 83.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.851 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -64.16 -40.64 96.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.87 -179.8 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -63.68 -51.76 63.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.07 -51.93 67.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.871 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 132' ' ' PHE . 87.6 t -60.86 -50.18 81.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.179 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -52.03 -45.13 64.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -69.72 -34.69 74.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.834 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.977 0.417 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -51.61 -50.9 59.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -58.92 -42.88 90.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.5 mp -56.97 -62.08 1.99 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 7.9 mt -52.01 -55.11 22.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 40.7 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.972 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.781 0.324 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -54.25 -32.19 55.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -26.74 6.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -69.3 -69.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.7 m -48.44 -44.94 35.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.546 HG22 HD12 ' A' ' 173' ' ' LEU . 38.9 mm -63.25 -45.18 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -63.43 -31.25 72.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.982 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -55.4 8.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.817 -179.868 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' A' ' 102' ' ' TYR . 13.3 pt -59.15 -39.29 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.546 HD12 HG22 ' A' ' 169' ' ' ILE . 9.1 mt -67.67 -47.02 70.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.869 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . 0.789 ' HE3' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -56.63 -50.85 70.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.762 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.79 -45.73 92.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.848 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.718 HD13 ' HB3' ' A' ' 99' ' ' TYR . 16.0 tp -52.85 -52.89 55.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . 0.49 ' OE1' HG22 ' A' ' 42' ' ' VAL . 3.9 tt0 -59.67 -52.42 65.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.913 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -53.0 -48.11 67.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -65.28 -32.88 74.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.841 -179.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.436 HD12 HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -64.1 -64.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.942 179.953 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . 0.549 ' HD2' HG23 ' A' ' 182' ' ' VAL . 0.0 OUTLIER -56.54 -42.86 79.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.905 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.549 HG23 ' HD2' ' A' ' 181' ' ' LYS . 25.1 t -61.94 -52.64 58.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 179.833 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 37.5 m -55.48 -39.46 70.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.496 ' O ' HD22 ' A' ' 184' ' ' LEU . 1.4 tm? -64.23 -56.14 16.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . 0.483 ' N ' HD13 ' A' ' 184' ' ' LEU . 17.3 ptp180 -62.75 -24.31 67.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.879 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 38.4 t -74.24 -47.22 36.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 184' ' ' LEU . 9.0 t -70.44 -25.04 63.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.956 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.415 HG12 HG23 ' A' ' 26' ' ' THR . 16.2 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.928 0.394 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 60.12 24.21 13.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.953 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.415 HG23 HG12 ' A' ' 24' ' ' VAL . 3.9 p -103.35 172.9 6.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.213 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.76 -35.0 41.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.177 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.57 -45.31 72.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.871 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.83 -51.33 69.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 31' ' ' GLY . 20.7 m -61.29 -41.88 91.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 35' ' ' THR . . . -59.1 -52.47 53.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.47 -37.93 95.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.507 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.686 HD21 ' O ' ' A' ' 124' ' ' ASP . 5.2 tt -65.96 -38.75 89.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.766 0.317 . . . . 0.0 110.837 -179.903 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.495 HG21 ' HG ' ' A' ' 184' ' ' LEU . 12.7 mm -67.05 -42.59 88.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.089 179.864 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 31' ' ' GLY . 60.6 p -65.05 -47.9 75.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.219 179.901 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -61.39 -55.07 35.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.622 HG22 HD11 ' A' ' 41' ' ' ILE . 9.7 p -59.18 -33.48 50.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.649 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.2 mt -63.98 -48.33 76.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -64.66 -41.61 95.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -62.75 -45.28 93.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.622 HD11 HG22 ' A' ' 37' ' ' VAL . 33.5 mt -62.28 -44.11 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 38' ' ' LEU . 99.4 t -60.98 -45.24 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 179.852 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -69.63 -44.1 71.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.1 ttp -65.27 -31.84 73.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -74.29 -51.12 16.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.53 -28.7 67.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -59.95 -35.0 74.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.477 HD23 ' HE3' ' A' ' 114' ' ' LYS . 20.8 mt -53.87 -31.92 51.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.54 31.1 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.6 27.91 17.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.973 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.7 44.09 98.02 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -87.04 105.99 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 p -54.98 -27.95 47.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.886 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -34.99 41.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 49.2 t -62.1 -25.96 68.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.7 mtp -67.57 -34.81 77.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -125.55 35.6 4.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -84.71 -74.24 0.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -108.34 39.11 2.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.903 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.72 25.68 4.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.0 -31.75 14.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.57 -28.78 5.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.668 ' HB1' ' CE1' ' A' ' 171' ' ' PHE . . . -56.75 -33.27 66.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 179.802 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -64.34 -24.74 67.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -109.59 27.98 9.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -135.62 20.11 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -93.88 -38.57 11.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.11 20.99 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.793 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mp -84.2 160.73 56.74 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.625 0.726 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.197 0 C-N-CA 122.589 2.193 . . . . 0.0 112.332 179.883 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.817 0.341 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.9 mt 72.29 -63.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.188 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.6 p -50.36 -47.96 55.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 98.1 p -56.11 -52.52 64.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.906 -179.818 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.95 -51.19 59.7 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.438 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.646 HD23 HG12 ' A' ' 129' ' ' ILE . 2.1 mp -51.95 -49.98 62.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.93 -49.33 75.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.951 179.841 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.13 -48.98 67.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -58.69 -46.86 86.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -54.34 -46.24 72.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.801 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -39.22 93.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.749 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.707 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.2 m-85 -59.35 -63.77 1.18 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.905 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 122' ' ' GLN . 2.4 pp -53.65 -43.62 68.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.606 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.3 mm-40 -55.88 -43.61 77.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -64.84 -42.24 95.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.843 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.537 ' HG2' HD11 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -66.81 -37.06 83.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.88 179.895 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.577 ' HE3' ' HB1' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -51.3 -40.06 58.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.66 -26.7 64.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -134.92 92.07 2.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.823 HD22 ' HB3' ' A' ' 114' ' ' LYS . 10.9 mt -149.42 154.06 38.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.005 179.883 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -65.82 -177.85 0.51 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.955 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.9 -51.25 67.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -70.84 -45.49 64.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.823 ' HB3' HD22 ' A' ' 110' ' ' LEU . 19.1 mmtm -55.62 -45.79 77.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -47.53 84.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.07 -50.55 66.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 179.786 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -68.25 -36.98 80.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.577 ' HB1' ' HE3' ' A' ' 107' ' ' LYS . . . -55.1 -49.09 72.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.851 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -52.82 -37.04 59.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 88.4 t -72.81 -37.79 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.4 mp -66.38 -51.11 60.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.626 ' HB3' HD13 ' A' ' 103' ' ' LEU . 1.5 pp0? -63.17 -45.24 92.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -56.43 -52.21 65.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.686 ' O ' HD21 ' A' ' 33' ' ' LEU . 32.8 m-20 -57.87 -55.02 40.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.794 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.6 m -55.64 -44.51 77.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.27 -53.53 52.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.563 HG22 HD11 ' A' ' 131' ' ' ILE . 98.2 m -62.49 -36.56 82.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.067 -179.867 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.571 HD23 HD22 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -63.14 -51.94 64.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.993 179.92 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.646 HG12 HD23 ' A' ' 96' ' ' LEU . 7.5 mt -61.01 -38.43 79.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.23 179.729 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -46.24 89.17 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 179.848 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.563 HD11 HG22 ' A' ' 127' ' ' THR . 19.1 mt -63.29 -53.48 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.18 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -59.69 -50.3 74.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -57.9 -38.7 76.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -63.55 -50.15 70.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -52.19 66.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.791 -179.858 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.4 m -64.9 -30.01 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -69.06 -38.74 79.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.891 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.25 -39.43 59.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.829 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.479 ' O ' HD12 ' A' ' 153' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -52.03 -51.02 60.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.72 -42.14 67.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.97 -54.16 45.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 149' ' ' SER . 1.0 OUTLIER -51.8 -58.26 6.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 179.834 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.789 0.328 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -81.32 -18.14 46.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.965 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 4.5 m -50.68 -26.49 5.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -69.72 -69.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 90.5 m -48.46 -44.28 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.2 mm -63.7 -46.89 93.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -62.44 -31.27 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 0.668 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 1.1 m-85 -70.78 -55.26 8.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.707 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.6 pt -60.03 -36.78 69.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.149 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.45 -53.44 28.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -56.82 -44.97 82.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.823 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.5 t -63.94 -41.93 97.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.0 tp -58.95 -49.29 78.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -61.81 -57.44 11.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.661 ' O ' HG23 ' A' ' 182' ' ' VAL . 0.0 OUTLIER -53.59 -49.24 68.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.863 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -61.39 -41.48 97.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.417 HD23 ' HG ' ' A' ' 38' ' ' LEU . 27.7 tp -56.74 -48.67 77.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.949 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -64.22 -45.99 85.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.962 179.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 178' ' ' GLU . 60.8 t -61.76 -35.9 70.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.052 179.852 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.459 ' O ' HG22 ' A' ' 187' ' ' THR . 60.5 m -71.59 -41.86 68.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.594 ' O ' HD13 ' A' ' 184' ' ' LEU . 1.5 tm? -64.79 -41.28 95.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.99 -35.09 62.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 94.5 p -65.53 -52.03 55.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 -179.734 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 183' ' ' THR . 14.8 t -67.18 -22.92 65.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.973 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.404 ' O ' HG12 ' A' ' 24' ' ' VAL . 19.3 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.765 0.317 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 63.82 24.89 13.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.448 ' O ' HG23 ' A' ' 30' ' ' VAL . 1.3 p -87.93 165.66 15.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -51.59 -45.97 63.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.84 -51.33 57.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.774 -179.766 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -36.32 79.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 26' ' ' THR . 97.9 t -63.54 -54.16 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.164 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.716 ' O ' HG23 ' A' ' 35' ' ' THR . . . -59.37 -51.83 56.81 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.47 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.16 -42.95 95.51 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.463 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.772 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.5 OUTLIER -63.25 -50.79 68.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.77 0.319 . . . . 0.0 110.892 -179.904 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.601 ' N ' HD23 ' A' ' 33' ' ' LEU . 7.6 mm -53.98 -44.63 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 31' ' ' GLY . 32.1 p -64.73 -42.37 95.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -59.0 -55.36 36.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.7 HG22 HD11 ' A' ' 41' ' ' ILE . 7.2 p -61.06 -36.4 72.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.652 HD11 ' HG2' ' A' ' 181' ' ' LYS . 1.1 mm? -59.72 -48.2 82.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -66.38 -41.17 89.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.965 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -61.59 -42.67 99.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.7 HD11 HG22 ' A' ' 37' ' ' VAL . 32.9 mt -66.08 -49.01 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 38' ' ' LEU . 86.0 t -55.84 -49.48 74.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.102 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.1 -41.13 95.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -31.93 73.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -73.37 -51.24 18.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -28.81 67.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -59.9 -34.6 73.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.0 mt -53.95 -36.17 62.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 57.2 m -96.27 37.24 1.26 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 61.94 26.64 16.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.37 24.39 76.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -79.93 108.5 13.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m -56.1 -33.53 65.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.81 -179.799 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -58.53 -30.18 66.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.7 t -66.55 -32.08 73.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 33.7 mtp -66.5 -28.7 68.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.783 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -121.08 27.7 8.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.92 0.39 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -83.2 -61.41 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -100.12 32.88 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.02 27.59 3.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.75 -26.76 8.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 179.858 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.82 -34.19 3.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.602 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -51.85 -39.18 58.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.043 179.834 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -55.65 -30.95 61.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -103.41 26.3 8.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -140.43 26.12 2.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -110.02 129.24 55.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.74 25.9 5.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.837 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.665 HD12 ' CB ' ' A' ' 175' ' ' SER . 1.6 mt -83.86 155.01 64.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.543 0.687 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.15 0 C-N-CA 122.643 2.229 . . . . 0.0 112.308 179.877 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.1 mttt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.747 0.308 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.3 mt 71.07 -69.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.5 t -50.7 -45.73 58.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.6 p -54.02 -52.27 61.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.844 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.44 -46.01 91.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.541 HD21 HD11 ' A' ' 128' ' ' LEU . 15.4 mt -54.28 -48.98 70.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.364 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -49.11 75.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.84 -50.93 69.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -58.74 -47.75 83.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.44 ' HA ' HD21 ' A' ' 103' ' ' LEU . 39.3 t-80 -54.33 -45.05 72.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.15 -36.84 82.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.827 -179.762 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -63.78 -60.21 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 104' ' ' GLU . 1.4 pp -57.32 -47.16 82.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.466 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -55.87 -45.74 78.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.893 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.735 ' CD1' HG22 ' A' ' 154' ' ' THR . 2.5 t80 -61.52 -48.61 80.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.983 -179.84 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.435 ' HG2' HD11 ' A' ' 110' ' ' LEU . 3.9 ttt -63.94 -29.39 70.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.94 179.833 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -27.31 68.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -60.07 -41.82 93.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -127.98 97.71 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.681 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.8 mt -149.16 178.11 9.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.988 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -82.12 -178.2 6.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 179.854 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -61.39 -51.47 68.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.862 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -68.19 -50.6 53.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.681 ' CB ' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -54.78 -39.81 68.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.911 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -49.75 59.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.817 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -51.82 -46.37 64.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -76.09 -31.91 58.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.84 -44.58 90.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -55.81 -49.4 73.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 89.0 t -62.09 -42.95 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.531 HD21 HG12 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -60.29 -48.01 83.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.98 179.903 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -51.12 71.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -53.8 -51.92 61.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -55.89 -47.29 77.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.545 HG22 ' CD1' ' A' ' 129' ' ' ILE . 11.3 m -54.46 -51.28 65.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.898 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.63 -33.02 74.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.538 ' HB ' HD11 ' A' ' 33' ' ' LEU . 24.4 m -69.54 -56.24 7.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.122 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.772 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.2 pp -60.48 -33.8 73.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.545 ' CD1' HG22 ' A' ' 125' ' ' THR . 67.9 mt -70.02 -44.67 78.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.78 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -62.54 -48.37 79.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.4 mt -62.25 -48.65 87.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.462 ' O ' HG23 ' A' ' 136' ' ' VAL . 4.2 m-85 -63.77 -39.93 95.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -60.32 -47.44 86.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -63.86 -50.55 68.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.12 -50.26 74.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 132' ' ' PHE . 73.4 t -64.58 -33.53 63.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -65.41 -43.21 91.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -82.73 -20.13 36.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.79 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 179.99 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.909 0.385 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -51.39 -49.1 62.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.08 79.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 21.5 mt -56.66 -53.39 58.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -54.5 -62.65 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.996 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.735 HG22 ' CD1' ' A' ' 105' ' ' TYR . 65.9 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.788 0.328 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -67.86 -25.81 65.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.57 -26.66 5.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.112 -179.91 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -69.0 -69.06 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 93.8 m -48.54 -44.82 36.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.172 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.2 mm -62.66 -44.88 99.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.174 179.849 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -34.22 75.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -54.94 12.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.837 -179.876 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 22.0 pt -60.1 -35.75 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 173' ' ' LEU . 18.1 mt -67.18 -52.97 34.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -56.37 -47.2 79.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.795 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.665 ' CB ' HD12 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -60.87 -47.92 84.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.872 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.4 tp -54.3 -52.2 62.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -57.09 -57.13 13.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -52.87 -46.52 67.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -54.88 -53.05 60.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.796 -179.832 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.23 -42.89 74.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . 0.652 ' HG2' HD11 ' A' ' 38' ' ' LEU . 5.4 mtmt -57.85 -60.34 3.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.875 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.23 -31.81 49.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.162 179.87 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 55.1 m -62.61 -45.11 94.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 184' ' ' LEU . 4.6 tp -71.78 -44.97 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -22.67 66.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 37.8 t -82.59 -51.64 7.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 7.5 t -56.28 -28.58 59.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 -179.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.808 -179.943 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.7 t . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.804 0.335 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 63.84 28.01 14.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.971 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.28 169.94 10.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 -179.908 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.5 p -51.74 -44.43 63.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.177 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.4 -51.46 58.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -61.19 -40.64 94.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.5 t -61.6 -54.3 36.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.93 -51.91 54.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.37 -38.46 93.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.647 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.6 OUTLIER -66.69 -37.85 85.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.7 0.286 . . . . 0.0 110.832 -179.873 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.568 HG22 HD12 ' A' ' 38' ' ' LEU . 23.4 mm -65.8 -51.24 64.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 t -61.87 -38.36 88.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -66.47 -55.59 14.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.484 HG22 HD11 ' A' ' 41' ' ' ILE . 7.8 p -61.23 -32.53 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.675 ' O ' HG23 ' A' ' 42' ' ' VAL . 9.8 mt -66.62 -48.55 69.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.4 t90 -63.29 -41.11 98.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.958 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -62.56 -48.7 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.484 HD11 HG22 ' A' ' 37' ' ' VAL . 46.3 mt -59.07 -46.79 91.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.047 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 38' ' ' LEU . 90.2 t -57.53 -54.74 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -56.78 -44.25 81.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.629 ' SD ' HD21 ' A' ' 173' ' ' LEU . 0.0 OUTLIER -65.98 -31.88 73.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.616 ' HA ' HD23 ' A' ' 173' ' ' LEU . 0.2 OUTLIER -67.68 -51.21 52.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.2 pttt -70.24 -28.63 65.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.47 -35.99 66.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.7 mt -61.22 -30.13 70.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 79.6 m -96.04 34.2 1.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 62.63 27.75 16.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.36 37.23 93.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.472 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -97.49 124.62 41.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -29.57 69.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.827 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.9 -41.28 77.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.32 -34.41 68.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.0 mtp -62.69 -29.05 70.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -119.82 27.16 8.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -97.24 -64.01 1.08 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.12 21.61 7.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -97.53 26.56 4.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.53 -29.69 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.73 -36.86 5.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.29 -39.3 63.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.788 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -59.79 -26.11 65.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -106.5 26.06 10.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -142.16 25.75 1.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.6 mt -118.51 132.8 56.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.14 23.37 12.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.854 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.467 HD12 ' OG ' ' A' ' 175' ' ' SER . 2.1 mt -83.99 154.64 64.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.142 0 C-N-CA 122.718 2.278 . . . . 0.0 112.334 179.826 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.0 mptt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.856 0.36 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.1 mt 70.79 -69.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 t -50.89 -49.59 59.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.812 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -53.96 -52.38 60.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.89 -46.01 95.0 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.401 HD13 HG12 ' A' ' 129' ' ' ILE . 16.7 mt -54.01 -49.01 69.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.809 0.338 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.1 mt -62.13 -49.11 77.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.54 -51.9 66.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -56.83 -49.43 75.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.002 -179.892 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.495 ' HA ' HD21 ' A' ' 103' ' ' LEU . 52.7 t-80 -54.13 -45.53 71.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.926 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.85 -39.58 94.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.797 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.451 ' HB3' HD12 ' A' ' 172' ' ' ILE . 21.5 m-85 -64.35 -64.45 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.495 HD21 ' HA ' ' A' ' 100' ' ' HIS . 2.2 pp -51.67 -42.07 61.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.822 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.455 ' HG2' HD12 ' A' ' 103' ' ' LEU . 4.6 mm-40 -64.23 -39.13 93.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.805 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.739 ' CE1' HG22 ' A' ' 154' ' ' THR . 5.9 t80 -63.73 -45.51 89.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.767 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 12.9 ptm -73.58 -31.01 63.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.852 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.714 ' HA ' HD12 ' A' ' 110' ' ' LEU . 1.1 tmtt? -51.71 -38.73 56.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.907 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.93 -44.21 94.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -104.32 84.27 2.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 107' ' ' LYS . 13.6 mt -149.18 177.77 9.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -84.7 -176.0 6.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.839 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -51.27 69.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.883 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.54 -50.65 57.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.855 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.565 ' HB3' HD13 ' A' ' 110' ' ' LEU . 9.1 mttt -55.62 -37.35 68.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -65.95 -53.08 43.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -52.96 -45.14 67.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.817 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -71.34 -37.3 71.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.2 -46.36 79.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.814 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -55.53 -38.27 69.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 85.9 t -72.7 -36.99 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.43 HD11 HG13 ' A' ' 41' ' ' ILE . 1.3 mp -66.44 -51.64 54.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -64.11 -44.16 93.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -59.06 -49.29 78.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -59.23 -47.31 85.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.681 HG22 ' CD1' ' A' ' 129' ' ' ILE . 10.5 m -55.46 -51.25 67.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 -179.9 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -59.01 -38.52 79.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.429 HG22 ' CD1' ' A' ' 131' ' ' ILE . 89.2 m -63.92 -54.35 36.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.885 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.647 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -62.42 -30.69 71.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.972 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.681 ' CD1' HG22 ' A' ' 125' ' ' THR . 48.6 mt -70.92 -40.65 76.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.845 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -70.64 -39.23 73.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.429 ' CD1' HG22 ' A' ' 127' ' ' THR . 27.3 mt -66.78 -51.6 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -63.32 -48.53 77.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -59.84 -40.48 88.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -63.79 -48.8 75.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.604 ' O ' HD12 ' A' ' 139' ' ' LEU . 1.0 OUTLIER -57.89 -52.14 66.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.837 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.4 m -65.8 -30.41 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.103 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -43.94 85.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -77.43 -30.61 53.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 135' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.911 0.386 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -50.75 -49.37 58.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.04 -48.52 75.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.0 mt -54.78 -55.0 34.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.07 -62.53 1.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.739 HG22 ' CE1' ' A' ' 105' ' ' TYR . 67.8 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.785 0.326 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -65.4 -42.82 92.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.795 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.64 -26.46 5.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.149 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -69.62 -69.03 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 70.8 m -48.5 -46.39 38.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 37.8 mm -60.92 -51.01 78.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -61.81 -27.96 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.52 -55.25 9.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.451 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.9 pt -61.1 -36.52 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.629 HD21 ' SD ' ' A' ' 44' ' ' MET . 1.0 OUTLIER -67.35 -49.71 62.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.901 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.4 ttpp -61.02 -48.06 83.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.809 179.84 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.467 ' OG ' HD12 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -61.45 -40.18 93.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.832 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 12.9 tp -63.37 -49.74 72.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -57.24 13.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -56.71 -36.04 69.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.445 ' HA ' HG12 ' A' ' 182' ' ' VAL . 36.0 t80 -70.14 -31.79 69.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 28.7 mt -72.22 -45.77 58.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.75 -43.95 87.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.794 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 179' ' ' PHE . 7.3 p -69.02 -34.0 61.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.883 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 6.1 m -69.09 -48.36 62.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.193 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.572 ' O ' HD13 ' A' ' 184' ' ' LEU . 3.3 tm? -71.32 -31.66 67.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -73.22 -38.44 66.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 6.5 t -73.48 -51.98 15.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.5 t -51.63 -31.49 25.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.415 HG12 HG23 ' A' ' 26' ' ' THR . 21.8 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.873 0.368 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 63.48 24.89 14.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.005 -179.833 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.458 ' O ' HG23 ' A' ' 30' ' ' VAL . 1.2 p -93.01 163.94 13.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.093 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -51.56 -47.0 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 p -52.52 -51.33 60.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.4 tm0? -60.89 -37.47 82.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 26' ' ' THR . 90.3 t -63.69 -54.04 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.714 ' O ' HG23 ' A' ' 35' ' ' THR . . . -58.07 -51.9 55.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.41 -45.08 94.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.459 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.683 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.7 OUTLIER -61.63 -50.22 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.68 0.276 . . . . 0.0 110.84 -179.861 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.532 HG21 ' CD2' ' A' ' 184' ' ' LEU . 5.3 mm -54.0 -46.47 65.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 179.878 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 31' ' ' GLY . 32.2 p -63.37 -40.66 97.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.082 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -59.7 -55.55 32.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.712 HG22 HD11 ' A' ' 41' ' ' ILE . 7.6 p -62.42 -38.21 80.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.181 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.4 mp -57.95 -48.29 80.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.949 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -66.52 -42.17 87.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -59.58 -43.03 93.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.712 HD11 HG22 ' A' ' 37' ' ' VAL . 24.2 mt -66.14 -49.74 74.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.914 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 38' ' ' LEU . 91.4 t -56.66 -46.66 82.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.153 179.883 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.37 -40.85 94.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.2 ttp -65.31 -31.55 72.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.519 ' NH1' HD12 ' A' ' 173' ' ' LEU . 0.0 OUTLIER -74.05 -51.59 15.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.826 -179.913 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -28.69 67.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -59.78 -34.64 73.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.404 HD23 ' HE3' ' A' ' 114' ' ' LYS . 21.9 mt -53.92 -38.47 64.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 57.8 m -97.45 37.16 1.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t30 63.23 37.01 11.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.24 44.1 91.57 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.459 179.884 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -100.91 109.34 21.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.744 0.306 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.6 -28.76 70.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.46 -26.14 66.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -26.18 68.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.7 mtp -67.71 -50.64 56.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -96.7 29.68 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.29 -48.57 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.01 23.37 13.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.47 -27.42 31.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.6 -33.23 66.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.92 -26.16 14.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.72 -33.46 48.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.801 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -51.97 -30.18 23.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -117.9 26.03 9.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -140.31 26.06 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 179.877 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.624 HD11 ' HE2' ' A' ' 174' ' ' LYS . 0.8 OUTLIER -118.75 -69.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.953 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 58.0 24.43 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 179.886 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.4 mp -82.23 160.69 62.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.169 0 C-N-CA 122.644 2.229 . . . . 0.0 112.349 179.905 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.2 mttt . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.706 0.288 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.61 HG22 HD11 ' A' ' 96' ' ' LEU . 70.9 mt -78.17 -31.46 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 179.883 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.9 p -61.68 -50.1 73.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.5 t -56.36 -52.04 66.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.05 -50.99 58.5 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.61 HD11 HG22 ' A' ' 92' ' ' ILE . 16.1 mt -55.12 -51.36 66.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 -179.89 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -49.25 67.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -50.36 70.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.555 ' CB ' HD13 ' A' ' 176' ' ' LEU . 23.7 m-85 -55.14 -46.88 75.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.964 -179.895 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -57.28 -49.21 76.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.772 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.9 p -61.99 -33.05 73.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.753 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.834 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.9 m-85 -68.21 -64.65 0.82 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.901 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 pp -53.04 -36.6 60.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.1 -46.34 74.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.822 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -59.0 -45.13 91.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.499 ' SD ' HG23 ' A' ' 169' ' ' ILE . 13.4 ptm -75.05 -27.22 59.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.88 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -67.99 -32.64 73.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.55 -25.53 64.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.34 90.01 2.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.623 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.6 mt -145.44 178.0 8.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.86 -175.94 3.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -63.81 -51.08 66.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.877 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -72.27 -46.94 53.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.623 ' CB ' HD22 ' A' ' 110' ' ' LEU . 18.8 mmtm -55.69 -36.65 67.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.865 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -69.89 -44.48 69.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.86 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -49.13 77.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.769 179.936 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -70.28 -41.18 73.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.69 -44.66 73.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.806 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -55.66 -49.66 72.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.86 -39.79 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.623 HD11 HG13 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -60.2 -50.05 75.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.901 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -59.75 -49.26 78.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -52.54 59.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -56.09 -45.99 79.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.618 HG22 ' CD1' ' A' ' 129' ' ' ILE . 7.5 m -55.68 -51.25 67.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 -179.781 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -60.8 -34.87 75.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.58 ' HB ' HD11 ' A' ' 33' ' ' LEU . 56.8 m -66.24 -56.03 13.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.683 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -61.04 -31.67 71.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.94 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.618 ' CD1' HG22 ' A' ' 125' ' ' THR . 63.8 mt -71.93 -39.84 67.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.791 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -68.93 -40.4 79.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 87.4 mt -69.14 -47.79 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.569 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.7 m-85 -65.22 -46.9 78.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -63.52 -40.49 97.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -63.0 -51.22 67.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.03 -52.05 67.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 132' ' ' PHE . 97.3 t -59.59 -52.85 56.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 26.8 tttm -52.26 -44.02 64.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.841 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -66.44 -37.7 85.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.893 179.821 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.949 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.7 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.932 0.396 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -50.69 -49.97 56.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.43 -47.36 76.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 16.1 mt -56.01 -53.82 52.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.842 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.81 -62.73 1.46 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.966 179.843 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 82.7 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.966 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.82 0.343 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -77.43 -29.99 53.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.852 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.57 -26.09 8.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.925 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -70.05 -69.5 0.35 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.8 m -48.72 -43.64 37.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.499 HG23 ' SD ' ' A' ' 106' ' ' MET . 32.2 mm -63.27 -52.67 55.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -60.43 -26.32 66.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -72.73 -56.72 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.834 HD12 ' HB3' ' A' ' 102' ' ' TYR . 9.5 pt -61.57 -41.77 91.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.519 HD12 ' NH1' ' A' ' 45' ' ' ARG . 1.5 mm? -65.7 -47.77 74.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.965 179.898 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . 0.624 ' HE2' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -56.11 -48.83 75.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.901 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 20.0 t -60.96 -42.29 97.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.555 HD13 ' CB ' ' A' ' 99' ' ' TYR . 15.3 tp -56.53 -51.54 68.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . 0.472 ' HB2' HG21 ' A' ' 41' ' ' ILE . 3.0 tm-20 -59.47 -55.22 37.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.854 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -53.63 -49.01 68.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.508 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 82.3 t80 -54.26 -50.39 67.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.893 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 62.4 mt -57.55 -40.57 79.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.72 -61.77 2.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.816 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 6.4 p -57.25 -38.45 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 60.8 m -58.07 -48.34 80.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.234 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.532 ' CD2' HG21 ' A' ' 34' ' ' ILE . 6.7 tp -67.87 -35.69 78.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.984 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -29.13 67.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.915 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.7 t -82.33 -50.11 9.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.703 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.453 HG22 ' HA ' ' A' ' 184' ' ' LEU . 6.8 t -61.14 -17.92 55.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.173 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.829 -179.922 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 120.842 0.353 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 63.85 53.02 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.483 ' O ' HG23 ' A' ' 30' ' ' VAL . 10.1 p -107.01 162.79 13.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -51.42 -47.49 62.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 -179.94 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.52 -51.53 59.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.85 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -37.04 79.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 26' ' ' THR . 89.6 t -63.41 -54.43 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.18 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.714 ' O ' HG23 ' A' ' 35' ' ' THR . . . -57.88 -52.26 53.28 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.437 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.86 -43.74 94.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.536 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.833 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -63.58 -48.67 76.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.841 -179.865 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.569 ' N ' HD23 ' A' ' 33' ' ' LEU . 19.3 mm -54.49 -43.53 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.151 179.869 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 31' ' ' GLY . 29.7 p -65.65 -43.06 90.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.071 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -58.98 -55.5 34.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.715 HG22 HD11 ' A' ' 41' ' ' ILE . 7.3 p -59.67 -37.73 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.773 HD11 ' HG2' ' A' ' 181' ' ' LYS . 0.8 OUTLIER -58.59 -48.91 79.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.973 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -64.65 -42.89 95.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.16 -44.27 97.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.715 HD11 HG22 ' A' ' 37' ' ' VAL . 37.8 mt -61.94 -49.5 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.585 HG12 ' CE ' ' A' ' 46' ' ' LYS . 77.8 t -55.82 -58.71 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.041 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -55.95 -38.54 70.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.6 ttt -66.82 -31.93 72.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -51.22 21.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 -179.83 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.585 ' CE ' HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -70.68 -28.44 64.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.943 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -53.82 -36.8 62.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.0 mp -62.44 -30.28 71.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.77 34.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t30 60.41 33.95 20.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.846 179.934 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.99 44.72 94.42 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.497 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -99.66 112.01 24.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.82 -28.78 70.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.45 -26.98 64.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.879 179.9 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 12.3 t -68.26 -26.53 65.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.6 mmt -71.54 -36.96 71.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -100.99 27.99 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -101.52 -43.72 5.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.98 23.17 14.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -102.4 36.41 2.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.6 -33.44 4.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.65 -38.62 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.31 -33.31 63.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.714 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -57.81 -26.43 61.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -127.42 41.07 3.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -152.07 28.82 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.03 135.37 36.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.97 179.929 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.69 -24.22 58.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.891 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 mt -77.16 154.5 82.43 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.585 0.707 . . . . 0.0 110.952 179.892 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 C--N 1.342 0.223 0 C-N-CA 122.634 2.223 . . . . 0.0 112.348 179.918 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.5 mttt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.713 0.292 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mt 71.11 -68.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.066 179.811 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.6 p -50.75 -50.35 55.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.907 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.6 t -57.65 -52.33 65.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.839 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.33 -52.61 51.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.496 HD23 HG12 ' A' ' 129' ' ' ILE . 1.6 mp -60.96 -34.59 74.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.907 0.384 . . . . 0.0 110.911 -179.912 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.7 tp -63.86 -49.74 71.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -62.02 -52.3 64.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.599 ' HB3' HD13 ' A' ' 176' ' ' LEU . 22.9 m-85 -55.18 -41.23 71.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 -179.91 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.453 ' HA ' HD21 ' A' ' 103' ' ' LEU . 52.2 t-80 -63.35 -43.57 97.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.915 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.55 -28.81 68.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.959 -179.849 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.774 ' HB3' HD12 ' A' ' 172' ' ' ILE . 20.2 m-85 -72.77 -55.27 6.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.922 -179.879 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 104' ' ' GLU . 1.9 pp -60.45 -43.45 96.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.565 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.5 pp20? -67.68 -32.88 73.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.468 ' HE2' HD22 ' A' ' 153' ' ' LEU . 15.7 t80 -66.83 -49.6 65.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.799 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.731 ' CE ' HD11 ' A' ' 110' ' ' LEU . 24.1 ptm -65.68 -42.02 91.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.538 ' HB2' ' HB1' ' A' ' 118' ' ' ALA . 5.4 tptm -59.2 -28.51 66.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.84 -24.31 64.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -153.42 71.36 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.731 HD11 ' CE ' ' A' ' 106' ' ' MET . 4.1 mt -119.97 178.04 4.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -175.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.974 179.763 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.3 -50.46 60.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.874 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -76.23 -44.91 35.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.803 -179.849 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.529 ' HB3' HD13 ' A' ' 110' ' ' LEU . 20.9 mmtm -55.91 -32.7 64.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -70.25 -42.19 72.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.825 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.02 -38.4 88.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.944 179.846 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.6 -47.1 23.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 107' ' ' LYS . . . -57.35 -47.08 82.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.886 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -53.19 -50.51 64.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 -179.903 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.08 -46.65 94.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' A' ' 41' ' ' ILE . 0.2 OUTLIER -58.47 -42.68 88.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.016 179.879 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.523 ' HA ' HD13 ' A' ' 103' ' ' LEU . 2.0 tt0 -61.02 -50.08 74.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -54.88 -51.57 65.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.93 -50.48 70.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.635 ' HA ' HD23 ' A' ' 128' ' ' LEU . 6.8 m -56.84 -50.53 72.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.873 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -54.75 -39.12 67.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.2 m -64.59 -50.98 65.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.056 -179.897 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.833 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -63.5 -30.84 71.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.939 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.496 HG12 HD23 ' A' ' 96' ' ' LEU . 78.9 mt -72.98 -39.22 57.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.02 -39.85 75.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.876 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.6 mt -69.12 -47.69 73.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.55 ' O ' HG23 ' A' ' 136' ' ' VAL . 4.4 m-85 -63.58 -47.13 82.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -64.31 -39.78 94.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -61.39 -53.45 56.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.47 -51.97 67.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.9 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 132' ' ' PHE . 93.7 t -59.54 -36.62 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -69.21 -35.56 76.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.3 -36.97 69.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.851 179.859 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 97.4 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.957 0.408 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -51.73 -50.35 60.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.56 92.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.835 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.5 mt -58.25 -64.04 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.468 HD22 ' HE2' ' A' ' 105' ' ' TYR . 10.6 mt -51.88 -55.03 22.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 179.872 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 64.1 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.131 179.947 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.4 mm? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.871 0.367 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -78.98 -28.1 43.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.93 -26.46 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.91 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -69.65 -68.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.97 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 93.5 m -48.34 -44.92 34.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.7 mm -63.38 -46.2 96.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -62.89 -32.23 73.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -55.1 10.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.853 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.774 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.6 pt -60.27 -36.16 66.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.87 -55.69 13.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -55.35 -45.46 76.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.4 t -61.53 -44.7 96.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.599 HD13 ' HB3' ' A' ' 99' ' ' TYR . 19.2 tp -57.18 -50.84 71.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -57.11 14.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.773 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.6 ' O ' HG23 ' A' ' 182' ' ' VAL . 3.6 mm-40 -54.08 -48.27 70.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -57.54 -48.78 78.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.58 HD13 HD22 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -54.37 -50.81 66.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . 0.773 ' HG2' HD11 ' A' ' 38' ' ' LEU . 2.0 mttt -56.79 -48.51 77.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.87 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 178' ' ' GLU . 57.3 t -61.25 -44.08 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.814 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 93.2 m -57.51 -46.98 83.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.077 -179.928 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.445 ' O ' HD13 ' A' ' 184' ' ' LEU . 0.8 OUTLIER -63.13 -49.45 74.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.984 179.975 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 53.1 ttt-85 -61.85 -32.54 72.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 29.3 t -70.25 -51.91 27.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.8 t -63.48 -25.02 68.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.965 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.481 ' HB ' HG22 ' A' ' 26' ' ' THR . 47.6 t . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.759 0.314 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 63.66 37.34 10.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.887 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.651 ' O ' HG23 ' A' ' 30' ' ' VAL . 3.1 t -110.31 159.88 17.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.167 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.9 p -51.14 -48.99 61.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -51.61 62.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.787 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.618 ' H ' HG23 ' A' ' 26' ' ' THR . 68.4 mm-40 -61.09 -39.33 89.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 26' ' ' THR . 93.1 t -63.28 -54.51 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.708 ' O ' HG23 ' A' ' 35' ' ' THR . . . -55.89 -51.85 52.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.16 -43.73 96.89 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 -179.859 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.95 -50.09 70.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.721 0.296 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.576 ' O ' HD23 ' A' ' 38' ' ' LEU . 18.0 mm -53.74 -44.91 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.882 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 31' ' ' GLY . 42.8 p -64.98 -42.85 94.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -59.13 -55.47 34.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 179.885 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.712 HG22 HD11 ' A' ' 41' ' ' ILE . 8.4 p -60.56 -36.21 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.675 HD11 ' HG3' ' A' ' 181' ' ' LYS . 1.3 mm? -60.21 -48.36 82.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -65.37 -42.03 93.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.868 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.95 -42.32 98.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.712 HD11 HG22 ' A' ' 37' ' ' VAL . 35.6 mt -65.41 -45.64 92.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.214 179.884 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 38' ' ' LEU . 98.5 t -60.01 -44.52 94.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.143 179.833 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -70.24 -42.9 71.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.418 ' O ' HD13 ' A' ' 48' ' ' LEU . 13.8 ttt -65.86 -31.76 72.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.0 ttp85 -75.28 -51.11 14.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -28.74 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -55.58 -39.58 70.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.499 HD12 ' HE3' ' A' ' 114' ' ' LYS . 9.0 mp -54.15 -30.57 49.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.2 m -95.95 32.36 1.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 58.27 29.51 18.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.71 44.37 95.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.462 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -100.6 117.93 35.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.922 0.391 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 83.3 p -59.62 -27.17 66.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -40.4 94.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.849 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 t -61.51 -34.22 75.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.4 mtp -62.91 -45.26 93.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -104.18 26.18 9.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -83.51 -61.69 1.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.72 26.51 10.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -98.13 27.36 4.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.94 -30.96 8.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.031 -179.956 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.37 -31.09 5.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.68 -32.63 71.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 179.826 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -52.89 -32.78 47.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 -179.929 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -120.79 26.89 8.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.91 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -138.03 27.1 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.09 132.74 36.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.26 -25.99 63.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.768 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.0 mt -79.61 154.89 76.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.616 0.722 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.157 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 179.763 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.799 0.333 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.1 mt 71.06 -68.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 p -50.87 -49.63 58.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.5 t -57.0 -52.17 66.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 -179.762 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.82 -51.7 57.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.483 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.476 HD23 HG12 ' A' ' 129' ' ' ILE . 2.6 mp -59.35 -40.43 86.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 0.0 110.922 -179.893 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.605 HD23 ' N ' ' A' ' 98' ' ' GLU . 0.1 OUTLIER -64.94 -49.14 71.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.839 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.605 ' N ' HD23 ' A' ' 97' ' ' LEU . 80.8 mt-10 -58.96 -50.74 72.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.844 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.441 ' HB3' HD13 ' A' ' 176' ' ' LEU . 19.7 m-85 -57.98 -45.26 87.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.849 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -57.0 -48.5 78.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.67 -36.44 83.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.837 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.601 ' HB3' HD12 ' A' ' 172' ' ' ILE . 11.7 m-85 -62.75 -64.37 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.439 HD23 HD22 ' A' ' 176' ' ' LEU . 1.6 pp -54.48 -39.11 67.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.94 -37.1 86.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.756 ' CE1' HG22 ' A' ' 154' ' ' THR . 12.0 t80 -68.19 -50.14 56.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.915 -179.883 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.3 ptm -68.45 -26.83 65.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.856 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -65.33 -30.21 71.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.94 -37.84 80.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.959 179.935 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -124.79 95.99 4.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.624 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.4 mt -146.54 176.0 10.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.974 179.898 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -73.75 -175.92 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.859 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -62.71 -51.03 68.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -73.79 -46.19 47.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.624 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.9 mmtm -55.86 -37.09 68.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.904 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.17 -49.65 59.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.901 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -54.56 -47.36 73.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -71.31 -40.04 71.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.95 -43.42 73.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.081 179.832 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -55.73 -49.53 72.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.76 -44.59 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.49 -47.11 82.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -61.2 -50.83 71.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -53.21 55.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -55.09 -50.52 68.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.701 HG22 HD12 ' A' ' 129' ' ' ILE . 18.9 m -53.54 -43.9 68.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.178 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -68.43 -31.51 70.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.431 HG22 HD11 ' A' ' 131' ' ' ILE . 5.4 m -67.23 -56.55 9.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.906 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.433 HD12 HG13 ' A' ' 129' ' ' ILE . 0.6 OUTLIER -62.29 -42.56 99.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.982 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.701 HD12 HG22 ' A' ' 125' ' ' THR . 85.2 mt -64.53 -37.19 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.805 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -70.12 -41.52 73.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 179.854 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.431 HD11 HG22 ' A' ' 127' ' ' THR . 18.0 mt -64.8 -51.81 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.117 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.72 -49.97 72.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -57.58 -40.47 79.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -65.25 -46.52 80.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.09 -52.0 67.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.2 m -66.7 -30.5 49.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -36.34 77.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.875 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -77.82 -41.64 36.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.871 179.831 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.525 -0.019 0 CA-C-O 120.922 0.392 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -51.02 -49.41 60.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.93 -48.64 75.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.872 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 16.8 mt -54.61 -55.03 33.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.59 -62.9 1.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.756 HG22 ' CE1' ' A' ' 105' ' ' TYR . 56.9 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 179.928 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.807 0.336 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -66.37 -31.37 72.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.86 -26.38 5.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.852 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -69.44 -69.05 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.2 m -48.59 -44.93 37.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.106 -179.918 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.401 ' O ' HD23 ' A' ' 173' ' ' LEU . 39.5 mm -62.9 -46.15 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -62.95 -32.12 73.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.965 179.949 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.83 -55.09 10.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.601 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.9 pt -60.29 -36.11 66.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 169' ' ' ILE . 2.8 mm? -67.13 -54.87 17.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -55.26 -49.01 73.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.01 -47.45 85.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.441 HD13 ' HB3' ' A' ' 99' ' ' TYR . 7.6 tp -54.11 -52.01 62.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.62 -56.41 21.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.916 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.628 ' O ' HG23 ' A' ' 182' ' ' VAL . 0.3 OUTLIER -53.15 -50.14 65.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.874 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -57.56 -46.48 83.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.97 -179.928 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 9.9 mt -55.01 -49.72 70.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . 0.675 ' HG3' HD11 ' A' ' 38' ' ' LEU . 1.1 mtpm? -58.36 -49.74 76.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.91 179.861 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 178' ' ' GLU . 29.4 t -61.29 -36.38 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 179.879 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 97.0 m -63.27 -59.35 4.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.082 -179.962 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.486 ' O ' HD13 ' A' ' 184' ' ' LEU . 1.0 OUTLIER -55.87 -46.35 78.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.955 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 57.3 ttt85 -64.28 -33.85 76.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 30.4 t -71.04 -52.08 21.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.797 -179.763 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 8.9 t -61.61 -25.1 67.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.213 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.985 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.6 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.899 0.38 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 63.56 51.83 2.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.003 -179.873 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.48 HG23 ' H ' ' A' ' 29' ' ' GLN . 2.2 t -107.97 159.07 16.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -51.37 -47.13 62.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.27 -51.71 51.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.829 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.48 ' H ' HG23 ' A' ' 26' ' ' THR . 8.4 mm-40 -60.65 -41.57 95.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.973 -179.928 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.2 t -61.13 -54.53 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.185 179.902 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.73 -51.76 52.95 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.26 -40.46 93.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.953 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.671 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -65.28 -38.68 91.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.348 . . . . 0.0 110.924 -179.935 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.524 ' O ' HD23 ' A' ' 38' ' ' LEU . 25.0 mm -63.69 -55.88 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.895 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.6 t -57.82 -41.85 83.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -63.72 -55.14 25.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -31.88 41.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.666 ' O ' HG23 ' A' ' 42' ' ' VAL . 2.1 mm? -67.15 -49.0 66.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -61.74 -42.22 98.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.3 -48.07 81.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.0 mt -58.96 -41.45 83.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 38' ' ' LEU . 93.5 t -62.44 -50.36 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.113 179.826 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.61 -41.85 95.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.5 ttt -67.29 -34.79 78.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.8 ttp85 -68.21 -51.32 46.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.3 -28.31 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.71 -34.71 59.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.551 HD21 HG21 ' A' ' 169' ' ' ILE . 9.6 mp -67.51 -29.53 68.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.92 31.3 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 62.87 39.49 10.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 53.49 45.02 67.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.464 179.958 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -100.75 102.74 13.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 110.905 -179.875 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.69 -28.93 64.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.852 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -71.35 -26.59 62.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 48.1 t -65.54 -28.69 69.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.0 mtp -57.44 -33.34 67.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.935 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -120.55 26.94 8.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -86.26 -48.72 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.8 23.42 13.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -101.97 38.31 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.27 -25.1 9.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 -179.979 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.84 -37.78 2.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.859 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.496 ' HB1' ' CZ ' ' A' ' 171' ' ' PHE . . . -56.49 -28.32 59.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.15 179.813 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -56.45 -26.44 53.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -114.45 29.0 8.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -147.42 28.48 0.98 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.462 HD22 HD12 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -96.58 -47.93 5.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.994 179.941 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.98 23.95 10.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.785 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.462 HD12 HD22 ' A' ' 67' ' ' LEU . 20.4 mt -84.11 159.27 60.06 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.653 0.739 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.216 0 C-N-CA 122.632 2.221 . . . . 0.0 112.346 179.874 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.1 mttm . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.817 0.341 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.2 mt -115.6 -25.67 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.905 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.96 -33.01 70.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.874 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.8 t -57.34 -52.23 66.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.21 -51.13 40.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.996 HD21 HD11 ' A' ' 128' ' ' LEU . 1.2 tp -55.27 -44.86 76.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.94 0.4 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 45.3 mt -64.5 -49.25 72.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.42 -53.39 58.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -55.56 -46.6 77.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.439 ' HA ' HD21 ' A' ' 103' ' ' LEU . 22.2 t-80 -56.22 -47.49 78.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 p -63.72 -35.1 79.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.769 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.426 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.8 m-85 -66.17 -64.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.868 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 104' ' ' GLU . 1.2 pp -51.29 -46.23 62.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.454 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -57.34 -51.18 70.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.79 ' CD1' HG22 ' A' ' 154' ' ' THR . 1.7 t80 -54.8 -40.78 69.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.823 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.487 ' HG2' HD11 ' A' ' 110' ' ' LEU . 2.5 ttp -71.18 -31.58 67.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 179.913 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.533 ' HB2' ' HB1' ' A' ' 118' ' ' ALA . 4.7 tptm -65.62 -32.72 74.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -59.21 -20.69 56.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -144.56 79.4 1.6 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.595 HD13 ' HB3' ' A' ' 114' ' ' LYS . 5.2 mt -136.49 178.24 7.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -71.22 -177.46 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.827 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -63.4 -51.25 66.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.813 179.846 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -72.32 -49.14 36.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.595 ' HB3' HD13 ' A' ' 110' ' ' LEU . 6.2 mttt -55.72 -28.54 56.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -68.31 -45.65 72.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.564 ' O ' HG23 ' A' ' 120' ' ' VAL . 0.6 OUTLIER -67.69 -38.34 83.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.843 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -72.74 -48.96 34.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.935 179.899 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.533 ' HB1' ' HB2' ' A' ' 107' ' ' LYS . . . -58.03 -50.09 74.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.859 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -53.77 -49.99 67.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 116' ' ' ASP . 74.1 t -59.0 -43.35 88.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.62 -46.83 83.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -60.38 -48.47 81.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.893 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -53.82 -51.58 63.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.78 -49.6 76.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.761 HG22 HD11 ' A' ' 129' ' ' ILE . 4.7 m -56.46 -49.62 74.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 -179.912 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -55.32 -45.29 76.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.812 -179.894 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.503 HG22 HD11 ' A' ' 131' ' ' ILE . 2.0 m -59.3 -54.71 43.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 -179.907 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.996 HD11 HD21 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -60.57 -30.08 69.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.939 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.761 HD11 HG22 ' A' ' 125' ' ' THR . 25.7 mt -68.91 -44.11 81.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.816 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -66.28 -47.22 74.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.906 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.503 HD11 HG22 ' A' ' 127' ' ' THR . 7.2 mt -60.76 -52.27 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -62.14 -45.36 93.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -56.51 -42.46 78.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -65.65 -49.64 67.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -55.67 -52.28 64.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.808 -179.888 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.63 -31.14 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -41.12 97.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.858 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -88.17 -19.92 26.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.81 179.9 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.878 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.899 0.38 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -51.65 -50.35 60.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -52.51 -45.3 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.066 179.9 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 14.2 mt -60.46 -48.97 79.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.911 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.445 HD23 ' CE2' ' A' ' 105' ' ' TYR . 0.6 OUTLIER -54.04 -60.54 3.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.948 179.922 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.79 HG22 ' CD1' ' A' ' 105' ' ' TYR . 30.9 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.812 0.339 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.16 -26.2 66.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 179.881 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.8 -26.36 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -69.39 -69.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.0 m -48.84 -45.11 40.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.551 HG21 HD21 ' A' ' 48' ' ' LEU . 38.7 mm -62.75 -44.72 99.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.158 179.865 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -62.56 -33.02 74.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.992 179.858 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 0.496 ' CZ ' ' HB1' ' A' ' 63' ' ' ALA . 0.7 OUTLIER -70.09 -55.17 10.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.773 -179.912 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.426 HD12 ' HB3' ' A' ' 102' ' ' TYR . 25.2 pt -58.69 -35.72 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.73 -54.56 18.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -58.08 -49.93 75.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.846 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 86.7 p -60.69 -41.06 94.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.9 tp -58.22 -54.84 42.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . 0.546 ' OE1' HG22 ' A' ' 42' ' ' VAL . 3.3 tt0 -57.44 -56.66 18.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.874 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 182' ' ' VAL . 3.5 mt-10 -53.34 -44.3 68.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.403 ' HE1' HD13 ' A' ' 96' ' ' LEU . 44.6 t80 -57.69 -48.8 78.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.7 mt -57.56 -53.26 60.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . 0.505 ' CG ' HD11 ' A' ' 38' ' ' LEU . 29.5 mtmt -51.76 -50.51 60.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.786 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 178' ' ' GLU . 85.1 t -59.1 -45.9 92.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 179.834 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 48.4 m -59.31 -34.56 72.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.478 ' O ' HG22 ' A' ' 187' ' ' THR . 1.1 tm? -70.54 -52.09 24.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 50.7 ptt85 -67.98 -19.96 64.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.795 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 74.8 p -80.79 -49.45 11.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.823 -179.728 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 184' ' ' LEU . 8.9 t -59.8 -23.03 62.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.991 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.476 ' HB ' HG22 ' A' ' 26' ' ' THR . 50.4 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.814 0.34 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 63.46 25.23 14.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.816 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.476 HG22 ' HB ' ' A' ' 24' ' ' VAL . 9.0 t -109.64 168.61 9.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.75 -36.8 27.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.01 -43.27 75.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.924 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.406 ' H ' HG23 ' A' ' 26' ' ' THR . 30.4 tp60 -62.68 -51.49 67.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.438 HG23 ' N ' ' A' ' 31' ' ' GLY . 19.2 m -60.44 -43.98 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 179.9 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.7 ' O ' HG23 ' A' ' 35' ' ' THR . . . -58.67 -52.31 53.79 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.459 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.94 -39.79 97.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.544 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.568 HD21 ' O ' ' A' ' 124' ' ' ASP . 3.3 tt -64.35 -46.94 81.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.338 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.541 ' O ' HD23 ' A' ' 38' ' ' LEU . 21.5 mm -59.05 -42.97 88.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.792 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 31' ' ' GLY . 34.9 p -64.88 -43.65 92.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -58.88 -55.59 33.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.771 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.717 HG22 HD11 ' A' ' 41' ' ' ILE . 9.1 p -60.01 -35.6 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.753 HD11 ' HG3' ' A' ' 181' ' ' LYS . 1.0 OUTLIER -60.35 -48.59 81.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.6 t90 -65.28 -41.81 93.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -62.69 -41.5 99.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.717 HD11 HG22 ' A' ' 37' ' ' VAL . 36.3 mt -65.23 -47.42 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 38' ' ' LEU . 92.0 t -58.87 -46.76 90.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.189 179.871 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.8 -42.1 82.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.406 ' O ' HD13 ' A' ' 48' ' ' LEU . 3.0 ttt -66.01 -31.82 72.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 179.912 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -51.04 17.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.859 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -69.23 -28.79 66.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.941 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.55 -39.91 74.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.508 HD12 ' HE2' ' A' ' 114' ' ' LYS . 7.4 mp -55.25 -28.88 56.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.905 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.8 m -98.41 31.03 2.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 179.85 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.21 28.6 18.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.77 43.02 92.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.93 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -99.53 107.61 19.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 110.909 -179.863 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.6 p -54.45 -29.7 50.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.787 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -31.09 72.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.6 t -63.31 -27.28 69.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.8 mtp -63.71 -50.22 70.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -110.83 37.42 2.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.812 -179.85 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -76.64 -43.09 39.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.498 ' CG ' HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -143.9 27.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 -179.989 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.51 ' HA ' ' HB3' ' A' ' 63' ' ' ALA . 5.2 p-10 -77.33 -26.08 51.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.791 -179.931 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.64 -34.9 53.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.498 HD21 ' CG ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -102.4 -31.11 10.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.933 -179.995 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' ' 60' ' ' ASP . . . -59.26 -33.85 71.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.738 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -53.71 -31.68 49.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -114.94 34.04 5.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -142.92 26.77 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.947 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.0 132.56 50.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.8 -26.06 20.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.816 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.64 160.8 49.98 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.7 0.762 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo . . . . . 0 C--N 1.342 0.219 0 C-N-CA 122.744 2.296 . . . . 0.0 112.272 -179.988 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.776 0.322 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.2 mt -91.75 -37.17 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.853 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 m -52.06 -44.47 64.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.0 m -57.19 -51.96 67.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.846 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -55.67 -51.15 56.84 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.852 HD12 HD11 ' A' ' 129' ' ' ILE . 0.7 OUTLIER -56.42 -45.88 80.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.358 . . . . 0.0 110.879 -179.878 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -49.33 76.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -56.64 -52.67 64.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -56.32 -45.15 80.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.824 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -56.23 -48.4 76.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 m -62.77 -37.61 87.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.751 -179.772 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.634 ' HB3' HD12 ' A' ' 172' ' ' ILE . 14.1 m-85 -61.57 -63.57 1.23 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 -179.884 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.0 pp -55.91 -35.86 67.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.04 -46.11 90.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 179.862 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.709 ' CE1' HG22 ' A' ' 154' ' ' THR . 9.1 t80 -65.54 -42.98 91.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.759 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.8 ttt -70.35 -25.85 63.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -70.66 -26.04 63.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -36.53 77.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -129.25 97.16 4.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.887 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.68 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.0 mt -149.05 176.14 10.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.956 179.933 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -75.39 -175.98 2.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.832 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -51.02 68.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -73.91 -45.91 47.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.68 ' CB ' HD22 ' A' ' 110' ' ' LEU . 0.6 OUTLIER -55.71 -39.67 71.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.868 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -65.56 -49.62 68.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.834 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -54.38 -48.39 71.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.864 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -67.64 -40.99 84.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.92 -46.06 74.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 179.83 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 14.1 ttt-85 -55.65 -49.59 72.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.8 -179.897 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 90.2 t -60.12 -40.45 83.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.635 HD21 HG12 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -59.75 -50.21 74.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.948 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -59.37 -51.64 69.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -53.95 -53.15 56.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.568 ' O ' HD21 ' A' ' 33' ' ' LEU . 28.1 m-20 -53.95 -46.42 71.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.65 HG22 ' CD1' ' A' ' 129' ' ' ILE . 9.4 m -58.11 -47.13 84.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 -179.936 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.64 -33.33 74.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.1 m -69.14 -56.2 8.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.924 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 pp -59.73 -33.21 71.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.961 179.916 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.852 HD11 HD12 ' A' ' 96' ' ' LEU . 66.7 mt -71.74 -42.92 70.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -43.84 95.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 179.934 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 52.5 mt -67.29 -53.02 36.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -58.67 -48.52 80.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -61.31 -41.31 96.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -63.19 -40.68 98.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -65.38 -52.17 55.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 34.3 m -64.94 -33.54 64.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 -179.935 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.04 -41.17 78.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -78.31 -25.37 46.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.996 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.888 0.375 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -50.97 -49.9 59.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.33 -53.23 56.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.028 179.874 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.0 mp -51.75 -53.83 35.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.422 HD11 HG21 ' A' ' 168' ' ' THR . 3.9 mm? -52.69 -64.23 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.709 HG22 ' CE1' ' A' ' 105' ' ' TYR . 64.2 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.931 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 165' ' ' ARG . 4.5 pp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.836 0.35 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . 0.422 ' N ' HD12 ' A' ' 164' ' ' LEU . 32.7 ptt85 -57.31 -28.93 63.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.84 -26.73 10.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.194 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -69.76 0.33 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.819 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . 0.422 HG21 HD11 ' A' ' 153' ' ' LEU . 98.3 m -48.77 -45.18 39.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.23 179.945 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.475 HG21 HD21 ' A' ' 48' ' ' LEU . 1.7 mp -61.6 -49.78 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.854 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.46 -29.37 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -55.22 9.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.634 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.2 pt -61.93 -37.0 77.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.26 -53.05 33.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -58.72 -43.07 90.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.871 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 5.2 t -64.23 -42.46 96.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.544 HD11 HD11 ' A' ' 180' ' ' LEU . 11.6 tp -62.8 -41.11 99.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.0 -57.25 8.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.824 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -56.66 -37.18 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.792 -179.867 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.84 -48.78 70.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 -179.89 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.544 HD11 HD11 ' A' ' 176' ' ' LEU . 31.2 mt -60.72 -37.7 82.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.869 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . 0.753 ' HG3' HD11 ' A' ' 38' ' ' LEU . 3.3 mtpp -66.55 -59.77 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 179.867 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 11.3 p -56.87 -31.05 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 179.884 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 98.7 m -78.02 -32.92 51.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.499 ' HG ' HG21 ' A' ' 34' ' ' ILE . 3.2 tm? -72.47 -35.71 68.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.896 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.63 -37.65 24.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 48.3 t -69.68 -49.13 56.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.3 t -51.85 -29.7 20.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.997 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.794 0.33 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 63.41 54.16 2.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.835 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.469 HG23 ' H ' ' A' ' 29' ' ' GLN . 6.6 t -119.79 164.99 15.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.96 -34.15 19.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -68.45 -44.9 73.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.869 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.469 ' H ' HG23 ' A' ' 26' ' ' THR . 1.2 tm0? -61.3 -50.61 72.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.0 m -62.22 -39.95 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.63 -52.82 50.13 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.432 179.913 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.21 -36.31 92.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.447 -179.87 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.691 HD21 ' O ' ' A' ' 124' ' ' ASP . 7.6 tt -69.33 -35.97 76.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.789 0.328 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.772 HG21 HD22 ' A' ' 184' ' ' LEU . 40.1 mt -68.53 -47.89 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.092 179.875 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.8 t -64.29 -40.43 95.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -65.18 -55.06 20.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.527 HG22 HD11 ' A' ' 41' ' ' ILE . 8.5 p -60.43 -33.29 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 -179.948 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' ' 180' ' ' LEU . 8.4 mt -64.73 -49.01 72.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.0 t90 -63.21 -42.62 99.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -43.67 98.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.527 HD11 HG22 ' A' ' 37' ' ' VAL . 33.4 mt -61.75 -47.02 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.46 HG12 ' HD3' ' A' ' 46' ' ' LYS . 86.4 t -59.49 -44.31 92.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.893 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -69.09 -42.56 75.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.3 -31.78 72.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.54 -51.06 13.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -68.39 -28.72 67.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.93 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -53.72 -40.92 66.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.453 HD21 HG21 ' A' ' 169' ' ' ILE . 9.7 mp -54.9 -27.69 44.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.13 31.13 2.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.836 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.06 26.19 15.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.23 42.55 99.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -89.42 106.58 18.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.901 -179.887 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.9 p -52.62 -39.52 61.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.791 -179.837 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -65.59 -37.41 86.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.6 t -54.37 -27.45 36.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.5 mtp -67.98 -50.94 52.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -102.35 32.95 3.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.49 -62.46 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.6 29.98 7.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.914 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -96.22 29.76 2.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.61 -35.08 6.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.28 -36.1 5.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.58 -30.83 71.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 179.775 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.49 -27.29 68.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 -179.934 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.44 27.31 9.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -139.7 26.15 2.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.436 HD23 ' CD2' ' A' ' 171' ' ' PHE . 0.7 OUTLIER -92.19 -40.67 10.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.984 179.924 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.47 22.32 9.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.778 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.7 mt -84.03 158.47 61.56 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.712 0.767 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.343 0.237 0 C-N-CA 122.658 2.238 . . . . 0.0 112.365 179.828 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.0 mttt . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.888 0.375 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.7 mt -90.08 -41.37 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.221 179.802 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -47.85 81.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 -179.856 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.3 t -53.83 -52.32 60.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.834 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.85 -51.04 61.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.455 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.498 HD23 HG12 ' A' ' 129' ' ' ILE . 0.9 OUTLIER -55.57 -48.94 73.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.861 0.362 . . . . 0.0 110.912 -179.886 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.89 -49.19 76.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.88 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -54.96 -49.97 70.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -55.89 -50.18 71.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.933 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.458 ' HA ' HD21 ' A' ' 103' ' ' LEU . 38.7 t-80 -55.6 -43.7 76.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.3 m -63.64 -38.57 91.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.661 ' HB3' HD12 ' A' ' 172' ' ' ILE . 21.6 m-85 -63.97 -61.65 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 -179.921 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.547 HD13 ' HA ' ' A' ' 122' ' ' GLN . 2.4 pp -54.23 -38.83 66.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.538 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -68.5 -35.45 77.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.977 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -70.68 -38.34 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 -179.842 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.565 ' HG2' HD11 ' A' ' 110' ' ' LEU . 3.6 ttp -75.13 -34.56 61.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.93 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.428 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -62.69 -25.79 68.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.959 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -59.84 -39.99 87.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.971 179.864 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -130.25 98.82 4.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.625 HD22 ' CB ' ' A' ' 114' ' ' LYS . 8.5 mt -149.03 178.02 9.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -79.19 -176.0 4.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.796 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -62.59 -51.06 68.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.882 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.48 -48.78 59.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.625 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.9 mmtm -55.96 -37.46 69.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -52.91 39.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.832 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -53.16 -45.89 68.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.896 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -70.68 -40.01 73.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.79 -42.66 75.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.038 179.802 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -55.6 -43.64 76.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.82 -34.75 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.417 HD21 HG12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -66.53 -52.08 49.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.997 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.547 ' HA ' HD13 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -64.83 -42.36 95.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.931 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -58.87 -53.14 61.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.691 ' O ' HD21 ' A' ' 33' ' ' LEU . 80.5 m-20 -56.87 -55.22 37.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.769 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.7 m -55.91 -44.57 78.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.843 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -53.97 -53.45 52.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.421 HG22 ' CD1' ' A' ' 131' ' ' ILE . 98.7 m -61.41 -36.05 79.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.577 HD23 HD22 ' A' ' 33' ' ' LEU . 1.1 tm? -64.06 -52.08 61.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.498 HG12 HD23 ' A' ' 96' ' ' LEU . 10.2 mt -60.08 -37.87 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.873 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.67 -48.17 78.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.735 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.421 ' CD1' HG22 ' A' ' 127' ' ' THR . 35.2 mt -64.01 -53.32 45.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.623 ' O ' HG23 ' A' ' 136' ' ' VAL . 2.8 m-85 -57.99 -41.69 83.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -61.6 -49.47 76.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -56.98 -51.24 70.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -56.0 -52.01 65.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 132' ' ' PHE . 99.0 t -59.73 -44.39 93.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.1 179.928 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -56.66 -44.25 81.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -77.11 -23.06 51.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 179.854 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.739 ' O ' HD12 ' A' ' 153' ' ' LEU . 25.4 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.819 0.343 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -51.46 -45.42 62.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -63.45 -31.92 73.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.049 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 24.9 mt -69.2 -57.57 5.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.739 HD12 ' O ' ' A' ' 149' ' ' SER . 1.5 mp -56.85 -46.32 81.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 65.9 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.136 179.963 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.7 mp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.874 0.368 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -56.61 -28.47 60.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -27.05 11.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 -179.922 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -69.78 -69.61 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.893 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.7 m -48.65 -45.87 39.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.453 HG21 HD21 ' A' ' 48' ' ' LEU . 1.7 mp -61.14 -50.23 81.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -58.24 -30.99 66.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.995 179.85 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 0.436 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -71.14 -55.35 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.967 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.661 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.0 pt -61.92 -37.2 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.032 -179.947 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.22 -56.4 10.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -54.02 -45.24 71.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 8.3 t -60.83 -49.34 77.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.1 tp -53.11 -55.71 21.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.36 -53.42 54.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.837 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.547 ' O ' HG23 ' A' ' 182' ' ' VAL . 0.0 OUTLIER -53.03 -46.15 68.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.948 -179.912 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.436 ' HE2' HD13 ' A' ' 96' ' ' LEU . 39.1 t80 -62.68 -36.0 81.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.585 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -63.22 -58.79 6.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -45.88 79.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.845 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 178' ' ' GLU . 69.3 t -61.21 -52.78 57.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 54.8 m -51.53 -49.79 61.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.772 HD22 HG21 ' A' ' 34' ' ' ILE . 5.8 tp -61.38 -41.23 96.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -64.16 -30.8 71.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 26.9 t -74.51 -52.06 13.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 -179.83 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.2 t -59.87 -32.66 70.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.85 -179.992 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.408 ' O ' HG12 ' A' ' 24' ' ' VAL . 18.8 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.828 0.347 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 63.68 54.29 1.88 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 -179.884 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.474 HG23 ' H ' ' A' ' 29' ' ' GLN . 1.8 t -108.51 159.07 16.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.171 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -51.08 -47.52 61.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.8 m -51.56 -51.33 56.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.474 ' H ' HG23 ' A' ' 26' ' ' THR . 6.4 tp-100 -61.01 -39.38 89.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 26' ' ' THR . 95.3 t -61.76 -54.4 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.56 -52.17 53.46 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.437 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.31 -39.47 92.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.523 -179.912 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.655 HD21 ' HB3' ' A' ' 128' ' ' LEU . 1.0 OUTLIER -66.45 -39.95 89.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 -179.909 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.456 HG13 HD23 ' A' ' 184' ' ' LEU . 21.7 mm -62.46 -53.07 52.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.854 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 t -61.26 -37.82 84.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -67.33 -55.27 14.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.563 HG22 HD11 ' A' ' 41' ' ' ILE . 9.1 p -62.15 -32.4 54.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.647 ' O ' HG23 ' A' ' 42' ' ' VAL . 16.4 mt -67.03 -48.3 68.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -63.97 -40.54 96.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -49.55 74.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.563 HD11 HG22 ' A' ' 37' ' ' VAL . 38.4 mt -58.96 -46.16 91.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.084 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 38' ' ' LEU . 97.7 t -59.37 -46.65 92.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.886 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -65.81 -42.89 90.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.9 ttt -66.72 -31.87 72.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -73.88 -50.44 20.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.503 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -70.0 -28.85 65.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.949 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -54.06 -36.64 63.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mp -58.38 -28.81 65.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 98.1 m -97.25 29.26 3.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.4 t30 58.55 26.47 14.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.74 35.92 49.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.41 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -90.75 115.25 27.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.792 0.329 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.4 p -62.95 -40.04 96.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.62 -26.22 63.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -29.61 70.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.915 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.456 ' HE2' ' HB3' ' A' ' 46' ' ' LYS . 5.5 mtp -63.37 -49.21 74.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -110.44 33.78 4.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -69.62 -42.22 74.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.18 27.43 0.94 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 179.894 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.47 ' HA ' ' HB3' ' A' ' 63' ' ' ALA . 7.0 p-10 -76.67 -25.91 54.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.971 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.8 -29.92 21.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.084 179.914 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.88 -38.47 5.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 60' ' ' ASP . . . -52.66 -38.99 61.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 179.862 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -54.7 -29.74 53.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.878 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -108.34 28.83 7.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -136.82 26.82 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.005 HD23 HD21 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -107.9 126.88 53.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 179.939 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.5 -28.26 25.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.836 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.005 HD21 HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -63.77 156.26 73.26 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.593 0.711 . . . . 0.0 110.989 179.883 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.155 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 179.909 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.784 0.326 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.1 mt -117.22 -26.88 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -48.81 50.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.907 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.4 m -53.88 -52.21 61.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.97 -50.95 62.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.543 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.475 HD13 HG12 ' A' ' 129' ' ' ILE . 39.1 mt -55.46 -50.46 69.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.836 0.35 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.7 -49.29 73.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.849 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -51.38 65.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.75 ' HB3' HD13 ' A' ' 176' ' ' LEU . 25.1 m-85 -55.53 -48.81 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -54.86 -47.52 74.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.1 t -62.28 -37.23 84.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.912 -179.844 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.691 ' HB3' HD12 ' A' ' 172' ' ' ILE . 18.5 m-85 -64.15 -64.51 0.87 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 pp -53.33 -37.61 62.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.27 -38.43 85.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.611 ' CE2' HD22 ' A' ' 153' ' ' LEU . 53.8 t80 -66.85 -42.35 85.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.899 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.481 ' HG2' HD11 ' A' ' 110' ' ' LEU . 4.5 ttp -74.93 -34.14 62.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.416 ' HA ' HD12 ' A' ' 110' ' ' LEU . 3.2 tmtt? -60.79 -27.93 68.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.91 -41.27 91.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.892 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -126.3 96.62 4.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.624 HD22 ' CB ' ' A' ' 114' ' ' LYS . 7.7 mt -148.36 177.96 8.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -78.86 -176.15 4.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 179.89 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -62.43 -51.08 68.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.82 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -70.46 -48.39 56.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.624 ' CB ' HD22 ' A' ' 110' ' ' LEU . 19.8 mmtm -55.94 -36.93 68.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 179.919 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -51.49 47.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.779 179.895 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.74 -48.09 69.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -69.86 -39.52 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.95 -46.05 74.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.183 179.876 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -55.73 -49.56 72.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.8 -179.932 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.38 -43.04 93.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.11 -50.06 75.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -58.49 -49.51 77.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -53.93 -53.07 57.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.88 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -55.44 -45.65 76.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.624 HG22 ' CD1' ' A' ' 129' ' ' ILE . 6.7 m -56.13 -51.4 68.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.154 -179.935 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -63.04 -30.65 71.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.51 ' HB ' HD11 ' A' ' 33' ' ' LEU . 85.9 m -68.81 -52.44 30.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.16 -179.92 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.655 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -65.73 -32.32 73.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.818 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.624 ' CD1' HG22 ' A' ' 125' ' ' THR . 72.9 mt -72.58 -39.06 60.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.895 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -71.8 -38.48 70.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.456 ' CD1' HG22 ' A' ' 127' ' ' THR . 29.2 mt -70.41 -45.68 74.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.55 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.7 m-85 -67.77 -43.28 80.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -65.91 -43.31 88.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -63.8 -48.27 77.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.95 -52.0 67.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 132' ' ' PHE . 98.5 t -63.14 -38.03 80.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.854 179.929 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -71.78 -35.61 70.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 7.2 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.983 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.929 0.395 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -51.94 -50.98 60.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.43 -39.59 88.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.87 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 25.0 mt -59.47 -63.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.611 HD22 ' CE2' ' A' ' 105' ' ' TYR . 5.5 mt -52.86 -52.9 55.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 58.6 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.978 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 2.5 tp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.795 0.331 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -63.85 -26.98 68.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -26.52 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.58 -68.97 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.873 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.8 m -48.61 -44.7 37.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.1 mm -63.15 -46.51 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.158 179.866 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -62.93 -32.1 73.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.74 -54.97 11.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.691 HD12 ' HB3' ' A' ' 102' ' ' TYR . 21.2 pt -60.52 -36.03 67.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.53 -50.56 58.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.88 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -58.36 -44.38 88.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.568 ' CB ' HD11 ' A' ' 69' ' ' LEU . 2.6 p -64.91 -43.76 91.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.75 HD13 ' HB3' ' A' ' 99' ' ' TYR . 16.6 tp -57.43 -55.91 28.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.76 -53.04 62.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.909 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.573 ' O ' HG23 ' A' ' 182' ' ' VAL . 5.9 mt-10 -53.08 -48.87 67.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.909 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -58.48 -47.43 84.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.873 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.575 HD21 HD22 ' A' ' 128' ' ' LEU . 2.3 mt -54.26 -55.64 26.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -54.12 -53.77 48.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 178' ' ' GLU . 59.0 t -56.92 -35.8 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.096 179.911 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 96.6 m -63.37 -60.22 3.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.622 ' O ' HD13 ' A' ' 184' ' ' LEU . 1.1 tm? -55.41 -37.85 68.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 30.6 ttt-85 -68.6 -47.89 65.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 3.4 t -60.28 -52.17 66.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.729 -179.726 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.7 t -60.61 -23.68 64.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 33.6 mtp85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 -179.969 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.853 0.359 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 63.53 41.12 7.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.529 HG23 ' H ' ' A' ' 29' ' ' GLN . 2.8 t -108.04 160.19 15.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.0 p -51.16 -48.46 61.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.208 179.975 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.83 -51.51 56.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.529 ' H ' HG23 ' A' ' 26' ' ' THR . 1.5 tm0? -61.4 -41.93 97.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 26' ' ' THR . 91.6 t -60.97 -54.25 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.7 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.33 -51.62 54.95 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 179.961 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.88 -42.15 94.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.904 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.509 HD11 ' HA ' ' A' ' 124' ' ' ASP . 0.8 OUTLIER -64.42 -50.66 66.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.718 0.294 . . . . 0.0 110.953 -179.949 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.641 HG21 ' HG ' ' A' ' 184' ' ' LEU . 24.2 mm -53.9 -44.2 60.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.822 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 31' ' ' GLY . 33.8 p -64.58 -45.6 86.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -62.51 -55.15 30.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.486 HG22 HD11 ' A' ' 41' ' ' ILE . 8.5 p -59.69 -33.4 51.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.894 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.623 ' O ' HG23 ' A' ' 42' ' ' VAL . 12.4 mt -65.1 -48.33 74.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.6 t90 -63.47 -41.19 98.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.886 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -62.13 -47.31 85.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.486 HD11 HG22 ' A' ' 37' ' ' VAL . 43.7 mt -60.4 -48.12 89.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 38' ' ' LEU . 86.6 t -56.6 -55.37 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.788 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -57.42 -45.84 84.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.502 ' SD ' HD11 ' A' ' 173' ' ' LEU . 0.0 OUTLIER -63.08 -31.89 73.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.825 179.962 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.19 -51.24 40.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -70.66 -28.64 64.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -56.59 -29.97 62.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.3 mt -62.94 -26.82 69.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 60.5 m -102.72 29.93 5.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.882 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 t30 62.76 32.42 16.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.85 35.85 92.54 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -90.78 107.18 19.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.752 0.31 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.06 -28.36 51.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.809 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -37.93 89.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -27.05 66.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.5 mtp -69.69 -45.62 67.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -106.4 34.46 3.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -94.07 -63.06 1.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.48 32.91 4.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -99.13 27.27 5.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.756 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.01 -34.46 5.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.856 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.17 -36.86 5.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.597 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -53.86 -36.8 63.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.092 179.818 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -54.74 -30.17 55.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -109.18 26.2 10.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -141.32 26.1 2.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -102.7 -48.3 4.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 179.957 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.01 24.09 9.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.2 mt -84.02 159.28 60.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.617 0.722 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.341 0.148 0 C-N-CA 122.671 2.247 . . . . 0.0 112.385 179.822 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.727 0.299 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mt 71.11 -69.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.105 179.808 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.77 -50.07 56.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.879 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -52.35 60.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.23 -46.56 94.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.595 HD22 ' CG1' ' A' ' 129' ' ' ILE . 20.5 mt -54.03 -44.78 71.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.742 0.306 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -49.25 70.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.885 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.76 -53.0 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 179.848 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.411 ' HB3' HD13 ' A' ' 176' ' ' LEU . 24.0 m-85 -57.81 -47.4 82.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.978 -179.847 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.457 ' HA ' HD21 ' A' ' 103' ' ' LEU . 43.2 t-80 -54.53 -44.31 72.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.944 179.865 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -65.24 -41.48 94.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.408 ' HB3' HD12 ' A' ' 172' ' ' ILE . 15.5 m-85 -59.92 -63.0 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.874 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 104' ' ' GLU . 1.7 pp -54.27 -43.88 71.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.458 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.5 mm-40 -58.63 -39.67 81.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.565 ' CE1' HG22 ' A' ' 154' ' ' THR . 24.4 t80 -67.38 -44.98 77.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 -179.876 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 37.9 ttp -68.51 -30.93 69.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.06 -25.81 67.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.954 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -60.12 -37.49 80.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -134.01 100.78 4.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.637 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.1 mt -148.37 175.38 11.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -72.42 -176.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.789 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -63.01 -51.12 68.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -73.63 -45.74 51.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.637 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.8 mmtm -55.85 -39.86 72.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.928 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -68.04 -48.98 64.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.88 -48.8 66.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -72.67 -36.59 67.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.95 -45.74 74.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.079 179.713 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -55.65 -49.44 72.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.8 -40.43 85.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.464 HD21 HG12 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -61.37 -50.02 74.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -52.02 67.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 179.896 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 36.4 ttm-85 -53.73 -53.2 55.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.509 ' HA ' HD11 ' A' ' 33' ' ' LEU . 74.4 m-20 -54.07 -45.99 71.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.804 -179.917 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.669 HG22 ' CD1' ' A' ' 129' ' ' ILE . 11.0 m -56.9 -51.17 70.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.169 -179.869 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -63.27 -28.18 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.468 HG22 HD11 ' A' ' 131' ' ' ILE . 21.9 m -71.69 -56.1 6.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.861 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 pp -62.3 -34.54 76.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.931 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.669 ' CD1' HG22 ' A' ' 125' ' ' THR . 79.1 mt -70.32 -47.61 65.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.253 179.738 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -61.6 -40.61 95.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.829 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.468 HD11 HG22 ' A' ' 127' ' ' THR . 24.1 mt -67.04 -52.33 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -61.64 -46.55 89.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.56 -41.17 96.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.793 -179.939 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -63.56 -45.55 89.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -60.96 -52.24 65.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.4 m -65.43 -30.81 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -42.8 80.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.904 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -76.59 -30.63 57.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.9 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 28.2 tp . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 -179.993 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.924 0.392 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -50.7 -51.14 52.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.68 -48.88 71.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.5 mt -54.07 -55.62 25.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.91 -63.07 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.565 HG22 ' CE1' ' A' ' 105' ' ' TYR . 61.9 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.2 tp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.96 -26.72 63.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.941 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.76 -26.46 9.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -179.91 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -69.3 -69.69 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.9 m -48.85 -44.59 39.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.217 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.52 -48.32 89.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.185 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -62.07 -29.22 70.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 179.877 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -55.21 8.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.408 HD12 ' HB3' ' A' ' 102' ' ' TYR . 17.9 pt -60.1 -37.47 73.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 179.9 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.502 HD11 ' SD ' ' A' ' 44' ' ' MET . 3.6 mm? -67.74 -54.99 14.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . 0.541 ' NZ ' HD11 ' A' ' 67' ' ' LEU . 1.8 ttpm? -57.94 -45.6 86.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.004 179.804 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.4 t -61.23 -46.37 90.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.411 HD13 ' HB3' ' A' ' 99' ' ' TYR . 22.3 tp -56.61 -58.12 9.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -52.73 -51.25 61.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.598 ' O ' HG13 ' A' ' 182' ' ' VAL . 8.1 mt-10 -58.34 -38.51 77.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.417 ' HA ' HG22 ' A' ' 182' ' ' VAL . 38.2 t80 -68.97 -30.04 68.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 55.1 mt -73.22 -46.65 49.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -64.13 -43.88 93.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.808 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 178' ' ' GLU . 21.9 m -68.96 -36.81 75.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.929 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 187' ' ' THR . 21.6 m -72.37 -34.99 68.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.641 ' HG ' HG21 ' A' ' 34' ' ' ILE . 1.7 tm? -73.84 -40.25 63.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -75.22 -32.96 61.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 32.9 t -74.07 -51.55 15.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.771 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 183' ' ' THR . 14.0 t -57.85 -29.79 65.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 -179.943 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.791 -179.938 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.848 0.356 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 60.65 32.97 20.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 -179.848 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.2 p -106.63 175.2 5.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.213 179.936 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.03 -35.33 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.9 m -68.3 -45.02 74.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.823 -179.854 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -61.06 -51.14 70.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.1 m -61.73 -41.18 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.7 -52.42 53.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.416 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.98 -39.32 97.93 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.511 -179.871 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.727 HD21 ' O ' ' A' ' 124' ' ' ASP . 5.1 tt -66.53 -34.81 78.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.84 -179.828 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.034 HG21 HD13 ' A' ' 184' ' ' LEU . 10.1 mm -68.64 -50.68 53.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.078 179.798 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 t -62.86 -37.87 88.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.949 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -66.16 -55.46 16.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.472 HG22 HD11 ' A' ' 41' ' ' ILE . 7.6 p -60.78 -32.57 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 179.965 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.63 ' O ' HG23 ' A' ' 42' ' ' VAL . 7.6 mt -66.6 -48.44 69.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -63.82 -40.11 95.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -64.09 -45.07 90.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.609 HG12 HD21 ' A' ' 121' ' ' LEU . 48.4 mt -62.37 -44.66 99.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.058 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 38' ' ' LEU . 86.4 t -60.62 -50.09 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -66.09 -40.93 91.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.438 ' O ' HD13 ' A' ' 48' ' ' LEU . 4.1 ttp -66.76 -32.23 73.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.816 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -72.75 -50.63 23.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -70.18 -28.89 65.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.22 -38.82 68.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.98 179.911 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.524 HD12 ' HE3' ' A' ' 114' ' ' LYS . 8.8 mp -54.62 -28.59 47.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.76 34.79 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 60.8 28.33 18.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.8 40.97 97.74 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -98.04 105.82 18.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 64.7 p -54.02 -33.46 57.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 -179.901 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -30.97 69.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.41 -32.85 74.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.0 mtp -69.25 -36.8 77.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -111.43 30.01 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.19 -63.86 1.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.84 23.6 13.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -76.07 -26.74 56.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.74 -25.6 55.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.3 pp -115.59 -41.07 3.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.45 -29.03 65.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 179.761 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -62.39 -26.32 68.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.945 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -123.74 30.6 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -133.81 27.04 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.619 HD23 HD21 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -104.28 127.55 51.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.997 179.868 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.69 -33.34 41.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.9 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.619 HD21 HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -63.98 156.44 73.85 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.582 0.706 . . . . 0.0 110.904 179.9 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.251 . . . . 0.0 112.323 179.877 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.7 mttp . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.656 0.265 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.7 mt 72.72 -62.28 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.132 179.871 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -50.36 -49.21 54.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.9 m -54.04 -52.57 60.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.44 -46.73 93.75 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 mp -55.89 -44.96 78.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.903 0.383 . . . . 0.0 110.968 -179.94 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -49.34 75.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.915 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.29 -54.15 47.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.528 ' HB3' HD13 ' A' ' 176' ' ' LEU . 26.0 m-85 -55.8 -47.04 77.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.943 -179.894 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.487 ' HA ' HD21 ' A' ' 103' ' ' LEU . 36.7 t-80 -55.44 -42.78 74.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -31.19 68.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.834 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.781 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.6 m-85 -70.53 -53.39 16.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.487 HD21 ' HA ' ' A' ' 100' ' ' HIS . 1.4 pp -63.17 -44.97 93.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.442 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.1 pp20? -65.6 -31.75 72.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.876 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.752 ' CE1' HG22 ' A' ' 154' ' ' THR . 18.2 t80 -68.78 -52.36 31.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 -179.871 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.666 ' CE ' HD11 ' A' ' 110' ' ' LEU . 18.4 ptm -72.33 -25.89 61.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.804 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -36.69 78.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -38.08 81.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -118.11 92.41 3.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.668 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.1 mt -149.02 178.05 9.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.83 -176.0 3.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.85 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.03 -51.29 67.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.819 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -72.36 -46.87 53.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.911 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.668 ' CB ' HD22 ' A' ' 110' ' ' LEU . 20.7 mmtm -55.71 -38.27 69.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -48.33 64.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 179.914 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.0 -48.22 70.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.847 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -72.38 -37.93 68.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.78 -45.79 74.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.811 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -55.75 -45.79 77.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.7 t -66.41 -33.16 61.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.609 HD21 HG12 ' A' ' 41' ' ' ILE . 1.2 tp -66.57 -51.08 60.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.968 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -63.86 -41.15 97.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -60.99 -53.32 58.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.831 -179.94 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.727 ' O ' HD21 ' A' ' 33' ' ' LEU . 13.6 m-20 -56.76 -54.96 40.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.9 m -54.53 -47.16 73.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.926 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -54.45 -47.56 72.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.456 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.7 OUTLIER -63.37 -45.26 92.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.213 -179.979 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.622 ' O ' HD12 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -63.65 -35.21 79.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.912 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 74.7 mt -71.27 -39.75 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -46.53 78.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.883 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 127' ' ' THR . 8.8 mt -64.28 -49.17 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.96 -47.73 85.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.782 -179.925 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -59.49 -41.02 88.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -63.19 -48.77 76.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.433 ' O ' HD23 ' A' ' 139' ' ' LEU . 6.5 mt-10 -57.51 -52.48 65.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.96 -30.22 49.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.24 179.857 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -69.2 -36.3 77.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.891 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -88.09 -20.38 25.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 135' ' ' GLU . 2.5 mm? . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.859 0.361 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . 0.532 ' O ' HG23 ' A' ' 154' ' ' THR . 23.0 t30 -50.99 -43.78 60.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -59.58 -54.49 45.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 11.1 mp -51.54 -55.51 18.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.472 HD11 HG21 ' A' ' 168' ' ' THR . 3.5 mm? -52.64 -62.79 1.42 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.886 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.752 HG22 ' CE1' ' A' ' 105' ' ' TYR . 65.4 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.878 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.813 0.34 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.93 -27.77 33.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . 0.458 HG23 HD23 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -52.43 -27.22 15.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 -179.959 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -70.12 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.949 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . 0.472 HG21 HD11 ' A' ' 153' ' ' LEU . 94.2 m -49.12 -44.19 42.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.083 -179.929 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.71 -46.06 97.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -59.73 -35.87 75.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.01 -55.37 11.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.781 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.9 pt -61.63 -35.76 69.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 14.9 mt -66.56 -50.75 62.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -58.71 -47.71 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.433 ' CB ' HD11 ' A' ' 69' ' ' LEU . 53.1 m -59.49 -46.21 89.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.938 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.528 HD13 ' HB3' ' A' ' 99' ' ' TYR . 14.7 tp -56.42 -54.16 48.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.73 -54.96 30.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.952 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.582 ' O ' HG23 ' A' ' 182' ' ' VAL . 8.6 mt-10 -56.75 -43.99 81.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.905 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -60.71 -34.46 74.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 17.4 mt -69.29 -59.86 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.992 179.932 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -51.29 -41.53 60.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.816 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 178' ' ' GLU . 78.6 t -66.3 -50.08 70.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 56.1 m -51.13 -45.91 61.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 1.034 HD13 HG21 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -67.91 -45.92 73.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.845 179.964 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -57.57 -28.38 63.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.6 -50.78 8.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.816 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.59 HG22 ' HA ' ' A' ' 184' ' ' LEU . 7.3 t -66.49 -16.0 63.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -179.921 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.446 ' HB ' HG22 ' A' ' 26' ' ' THR . 35.7 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.803 0.335 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 63.7 22.95 13.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.965 -179.865 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.547 HG23 ' H ' ' A' ' 29' ' ' GLN . 4.4 t -87.59 159.29 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -51.5 -47.77 63.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.3 -51.45 54.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.802 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.547 ' H ' HG23 ' A' ' 26' ' ' THR . 0.5 OUTLIER -59.75 -38.16 81.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 -179.963 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.73 -54.26 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.688 ' O ' HG23 ' A' ' 35' ' ' THR . . . -57.06 -52.86 48.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.525 179.917 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.77 -41.51 93.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.539 -179.898 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.678 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.0 OUTLIER -62.67 -46.7 86.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 110.835 -179.908 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.596 ' N ' HD23 ' A' ' 33' ' ' LEU . 27.2 mm -57.67 -41.96 80.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 31' ' ' GLY . 19.9 p -65.83 -42.21 90.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -59.32 -55.68 31.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.794 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.462 HG22 ' CD1' ' A' ' 41' ' ' ILE . 5.9 p -60.06 -39.56 80.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.5 mp -56.63 -48.97 76.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -67.92 -37.07 81.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -43.5 95.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.775 HG23 HD12 ' A' ' 173' ' ' LEU . 70.2 mt -66.39 -46.67 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.168 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 38' ' ' LEU . 95.4 t -59.41 -43.02 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.835 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.86 -43.31 65.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.3 ttt -65.42 -31.55 72.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.08 -51.11 12.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -67.75 -28.74 67.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.96 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.82 -34.19 65.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.431 HD23 ' HE2' ' A' ' 114' ' ' LYS . 27.2 mt -55.94 -33.77 65.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.6 m -96.54 32.43 2.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 56.45 32.16 20.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.801 179.987 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.45 38.44 96.32 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.394 179.94 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -90.08 113.84 25.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.3 m -58.78 -26.78 64.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -66.46 -36.2 82.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -33.94 77.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 19.2 mtp -61.04 -31.26 70.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.761 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -116.23 26.71 9.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -91.65 -62.0 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.915 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.15 26.31 10.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.869 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -97.83 27.67 4.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.91 -27.92 7.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.09 -32.64 7.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.91 -43.15 66.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -63.28 -26.12 68.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -108.1 26.51 10.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -142.64 26.23 1.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -104.81 155.13 19.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 179.852 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.39 17.42 2.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 179.834 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.526 HD23 ' HE1' ' A' ' 99' ' ' TYR . 8.8 mp -84.03 160.32 58.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.553 0.692 . . . . 0.0 110.959 179.931 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 N--CA 1.465 -0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.397 179.851 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.661 0.267 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.492 HG23 ' HZ ' ' A' ' 179' ' ' PHE . 7.8 mt 73.62 -60.19 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 179.868 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 p -49.8 -44.06 48.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 99.8 p -60.53 -52.61 64.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.7 -51.5 58.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.429 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.415 HD23 HG12 ' A' ' 129' ' ' ILE . 0.8 OUTLIER -52.5 -48.89 65.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 -179.817 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -58.1 -49.43 76.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -53.34 -49.81 66.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.526 ' HE1' HD23 ' A' ' 69' ' ' LEU . 12.4 m-85 -57.55 -48.33 79.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.851 -179.758 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.515 ' HA ' HD21 ' A' ' 103' ' ' LEU . 31.6 t-80 -54.23 -42.18 69.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.87 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.84 -32.4 69.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.846 -179.753 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.571 ' HB3' HD12 ' A' ' 172' ' ' ILE . 20.5 m-85 -70.58 -51.48 28.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.82 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.675 HD21 HG21 ' A' ' 125' ' ' THR . 1.7 pp -64.86 -45.34 86.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.49 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.1 pp20? -64.78 -32.07 73.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.708 ' CE1' HG22 ' A' ' 154' ' ' THR . 2.6 t80 -70.52 -46.89 62.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.827 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.87 ' HE2' HD11 ' A' ' 110' ' ' LEU . 6.6 ttt -72.4 -29.81 64.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.803 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -61.96 -33.76 74.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -30.88 69.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -132.58 95.23 3.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.87 HD11 ' HE2' ' A' ' 106' ' ' MET . 5.8 mt -149.05 178.01 9.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -75.11 -176.01 2.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.993 179.778 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.18 -51.28 67.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 179.865 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -73.7 -45.98 49.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.602 ' CB ' HD22 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -55.62 -37.61 68.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.917 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -51.78 40.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.908 179.835 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.07 -47.29 65.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.4 -37.97 68.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.11 -43.77 74.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -55.58 -50.2 70.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.55 -45.25 97.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.951 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -50.92 67.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.465 ' HA ' HD13 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -64.97 -28.94 69.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.837 179.974 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 58.2 ttm-85 -64.17 -54.64 30.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -64.84 -39.63 93.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.675 HG21 HD21 ' A' ' 103' ' ' LEU . 30.3 m -58.08 -48.88 78.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 -179.883 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -64.83 -40.0 94.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.2 m -63.67 -53.23 54.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -179.883 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.678 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -62.57 -33.71 75.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.894 179.984 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.415 HG12 HD23 ' A' ' 96' ' ' LEU . 20.6 mt -69.44 -37.12 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 179.774 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -70.94 -40.96 71.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.775 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 59.0 mt -66.32 -50.49 67.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -63.84 -50.1 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -58.83 -39.89 82.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.21 -50.67 69.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.09 -52.18 66.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.4 p -65.51 -27.78 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.189 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -42.76 76.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -73.73 -38.6 64.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.842 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.905 0.383 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -51.08 -49.99 59.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.33 -46.57 69.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 15.6 mt -59.38 -47.53 85.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.407 HD23 ' CD2' ' A' ' 105' ' ' TYR . 0.9 OUTLIER -56.22 -63.22 1.26 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.845 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.708 HG22 ' CE1' ' A' ' 105' ' ' TYR . 72.7 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.76 0.314 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -28.52 68.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 179.933 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.5 -26.9 5.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.127 -179.866 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -68.85 -69.01 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.848 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 94.9 m -48.49 -46.58 38.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.134 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 36.9 mm -60.4 -46.47 95.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -62.93 -30.09 71.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -70.47 -53.14 17.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 -179.904 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.571 HD12 ' HB3' ' A' ' 102' ' ' TYR . 23.2 pt -63.12 -37.99 80.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.202 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.775 HD12 HG23 ' A' ' 41' ' ' ILE . 3.3 mm? -69.92 -57.88 4.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.869 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -31.16 65.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.007 179.809 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 88.5 p -73.34 -46.89 46.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.799 -179.832 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.8 tp -58.69 -47.43 84.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . 0.533 ' HB2' HG21 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -65.5 -52.8 50.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.902 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.428 ' O ' HG23 ' A' ' 182' ' ' VAL . 33.6 mm-40 -54.91 -50.08 69.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.492 ' HZ ' HG23 ' A' ' 92' ' ' ILE . 65.8 t80 -68.02 -29.26 68.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.58 ' HB3' HD11 ' A' ' 38' ' ' LEU . 6.0 mt -63.27 -61.18 2.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . 0.408 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -61.4 -40.94 96.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.79 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 178' ' ' GLU . 39.6 t -63.14 -43.5 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.864 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 31.6 m -65.84 -41.7 91.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 -179.979 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.534 ' O ' HD13 ' A' ' 184' ' ' LEU . 2.0 tm? -63.58 -44.86 92.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -66.87 -39.03 87.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.823 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.53 -51.85 65.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.077 0.465 . . . . 0.0 110.899 -179.832 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 15.2 t -65.73 -24.96 67.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.2 -179.925 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.963 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.431 ' HB ' HG22 ' A' ' 26' ' ' THR . 58.7 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.782 0.325 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 63.11 16.93 9.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.565 ' O ' HG23 ' A' ' 30' ' ' VAL . 9.6 t -91.45 168.85 11.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -50.5 -45.12 56.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.72 -51.36 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.838 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -61.61 -35.04 76.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 26' ' ' THR . 98.5 t -63.97 -54.16 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.72 ' O ' HG23 ' A' ' 35' ' ' THR . . . -60.2 -51.94 55.75 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.949 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.5 -40.15 95.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.378 -179.898 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.691 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.4 OUTLIER -64.49 -45.15 88.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.744 0.307 . . . . 0.0 110.901 -179.902 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.612 ' CD1' HD23 ' A' ' 184' ' ' LEU . 96.8 mt -61.58 -40.95 88.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.032 179.91 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.72 HG23 ' O ' ' A' ' 31' ' ' GLY . 34.7 p -64.78 -45.18 87.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.188 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -60.84 -55.37 33.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.647 HG22 HD11 ' A' ' 41' ' ' ILE . 14.7 p -59.63 -35.54 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 42' ' ' VAL . 10.6 mt -62.06 -48.5 79.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -63.19 -43.15 99.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.39 -42.87 96.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.647 HD11 HG22 ' A' ' 37' ' ' VAL . 22.9 mt -63.98 -46.77 93.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 179.886 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 38' ' ' LEU . 85.9 t -57.34 -47.56 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.839 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.52 -40.54 95.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.409 ' SD ' HD22 ' A' ' 121' ' ' LEU . 13.1 ttt -67.56 -35.18 78.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.959 179.891 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.63 -51.15 45.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.3 -28.7 66.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.869 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -53.88 -37.3 63.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.8 mp -54.55 -37.05 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 54.1 m -95.25 38.13 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t30 56.18 29.85 15.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 59.3 40.97 96.61 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -100.9 115.06 29.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.804 0.335 . . . . 0.0 110.829 -179.848 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.1 p -54.45 -28.71 46.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -26.67 55.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.799 -179.98 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.02 -26.94 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.816 -179.841 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.5 mmm -72.46 -31.03 65.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -112.48 30.54 7.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -96.21 -74.16 0.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.96 28.7 4.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -99.15 26.35 5.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.78 -30.86 4.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 -179.994 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.76 -32.96 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.968 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.79 -37.36 71.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.012 179.818 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -54.55 -29.19 50.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.801 -179.874 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -117.37 36.47 4.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -152.34 28.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.19 134.19 44.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.4 -26.78 26.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.828 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.21 160.63 47.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.647 0.737 . . . . 0.0 110.883 179.886 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.21 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.856 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.757 0.313 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.9 mt -113.79 -26.9 2.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.191 179.808 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 p -71.06 -46.59 61.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.78 -52.46 60.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.812 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.0 -47.62 88.82 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.514 179.958 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 mp -57.43 -50.99 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.955 -179.89 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -49.24 76.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.828 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -49.97 70.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -55.64 -51.7 66.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.497 ' HA ' HD21 ' A' ' 103' ' ' LEU . 59.6 t-80 -54.28 -44.52 71.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.3 p -63.48 -37.65 88.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.414 ' HD1' HD22 ' A' ' 153' ' ' LEU . 18.6 m-85 -66.0 -64.3 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.927 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.497 HD21 ' HA ' ' A' ' 100' ' ' HIS . 1.1 pp -51.0 -47.17 61.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.456 ' N ' HD12 ' A' ' 103' ' ' LEU . 29.6 tt0 -57.54 -51.15 70.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.9 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.691 ' CD2' HD23 ' A' ' 153' ' ' LEU . 2.2 t80 -57.5 -34.91 69.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.964 -179.868 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.48 ' HG2' HD11 ' A' ' 110' ' ' LEU . 1.3 ttt -74.37 -41.94 60.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.831 179.942 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.532 ' HB2' ' HB1' ' A' ' 118' ' ' ALA . 6.4 tptm -64.64 -25.82 68.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -20.57 56.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -154.71 79.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.969 179.961 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 114' ' ' LYS . 5.0 mt -127.65 178.17 6.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -68.91 -175.93 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.834 179.897 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -64.07 -51.15 65.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.781 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -75.54 -46.34 32.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.631 ' HB3' HD13 ' A' ' 110' ' ' LEU . 20.1 mmtm -55.81 -29.15 59.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.844 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -69.89 -45.42 67.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.844 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.583 ' O ' HG23 ' A' ' 120' ' ' VAL . 0.1 OUTLIER -66.86 -36.6 82.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.957 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.68 -48.19 23.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 179.955 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.532 ' HB1' ' HB2' ' A' ' 107' ' ' LYS . . . -58.24 -48.55 80.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.797 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -53.69 -50.17 66.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 116' ' ' ASP . 95.8 t -59.33 -44.74 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 -179.958 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.409 HD22 ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -58.3 -43.91 88.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.965 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.453 ' HA ' HD13 ' A' ' 103' ' ' LEU . 1.5 tt0 -61.17 -50.02 74.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -52.82 59.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.3 -50.34 69.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.599 ' HA ' HD23 ' A' ' 128' ' ' LEU . 7.5 m -56.55 -50.43 71.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.932 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -54.79 -38.87 67.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.441 ' HB ' HD11 ' A' ' 33' ' ' LEU . 2.5 m -64.76 -54.41 31.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 -179.902 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.691 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -59.87 -31.22 69.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.887 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 74.6 mt -72.99 -40.21 58.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.073 179.906 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -65.54 -45.49 83.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.6 mt -66.94 -45.95 86.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.537 ' O ' HG23 ' A' ' 136' ' ' VAL . 4.8 m-85 -65.62 -44.87 85.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.976 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -61.56 -42.82 99.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.773 -179.878 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.39 -54.37 37.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -55.46 -52.18 64.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 132' ' ' PHE . 91.9 t -61.05 -47.42 93.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -51.79 -46.16 64.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.93 179.895 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.68 -23.82 49.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 179.926 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.5 tp . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.987 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.96 0.41 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -51.5 -48.9 62.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.74 -50.63 65.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.794 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 11.0 mp -56.51 -47.52 79.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.691 HD23 ' CD2' ' A' ' 105' ' ' TYR . 0.5 OUTLIER -55.74 -63.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.896 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 36.7 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.936 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.822 0.344 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -27.85 69.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.774 -179.951 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.9 -26.41 5.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -179.86 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -69.44 -69.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.95 179.76 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . 0.682 HG21 HD11 ' A' ' 153' ' ' LEU . 96.7 m -48.59 -44.82 37.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.162 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.3 mm -63.03 -46.32 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -62.77 -32.06 73.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 179.924 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -55.16 10.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.945 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 20.3 pt -60.23 -36.02 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.34 -53.47 29.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.95 179.882 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -57.68 -46.27 84.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 179.813 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.75 -48.77 80.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.866 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 21.5 tp -54.74 -57.68 10.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -52.18 -54.4 31.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.918 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.45 -32.62 67.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -72.66 -32.26 65.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.48 HD23 HG13 ' A' ' 37' ' ' VAL . 1.8 mp -72.71 -52.42 15.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -44.19 97.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.831 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.28 -36.76 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.064 179.964 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 16.0 m -72.13 -29.58 64.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.612 HD23 ' CD1' ' A' ' 34' ' ' ILE . 2.7 tm? -76.04 -40.33 53.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.0 179.905 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -25.25 42.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 17.3 m -81.98 -48.58 11.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.6 t -56.56 -24.78 49.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -179.958 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.913 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.541 ' HB ' HG22 ' A' ' 26' ' ' THR . 21.8 t . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.776 0.322 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 59.48 24.64 13.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.59 ' O ' HG23 ' A' ' 30' ' ' VAL . 15.2 t -109.73 172.77 6.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 179.944 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.1 p -50.84 -43.86 59.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.01 -51.76 68.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.806 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -61.9 -40.81 96.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 26' ' ' THR . 96.4 t -62.29 -54.29 36.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.049 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.719 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.09 -52.18 50.9 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.4 -43.54 95.71 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.885 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.452 HD11 ' HB ' ' A' ' 127' ' ' THR . 1.3 tt -63.82 -49.41 72.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.342 . . . . 0.0 110.985 -179.938 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.546 ' O ' HD23 ' A' ' 38' ' ' LEU . 19.4 mm -54.14 -44.29 63.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.157 179.778 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 31' ' ' GLY . 31.7 p -64.88 -43.09 94.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.241 179.912 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -58.56 -55.5 34.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.917 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.732 HG22 HD11 ' A' ' 41' ' ' ILE . 7.5 p -60.67 -36.7 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.11 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.1 mm? -59.14 -48.25 82.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.2 t90 -66.03 -41.23 91.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -62.02 -41.52 98.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.732 HD11 HG22 ' A' ' 37' ' ' VAL . 30.3 mt -66.56 -48.84 79.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 38' ' ' LEU . 89.9 t -56.89 -46.66 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.902 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -42.31 86.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -31.8 72.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.13 -51.17 18.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.946 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.428 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -69.29 -28.88 66.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.976 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -59.01 -34.82 72.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.0 mt -55.06 -30.88 60.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.0 m -98.72 30.25 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 63.25 31.53 15.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.83 43.43 91.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 179.93 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -97.05 108.8 21.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 95.4 p -58.55 -26.3 63.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.55 -32.75 72.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 179.837 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.7 -27.91 66.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.0 mtp -59.31 -35.39 73.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -122.93 27.48 7.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -89.09 -51.58 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.49 23.71 13.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.922 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -99.24 25.85 6.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.51 -41.71 5.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.953 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.2 -32.1 14.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.23 -31.58 32.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.742 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -53.44 -30.3 39.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.962 -179.949 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -121.5 25.98 9.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -145.5 26.93 1.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.761 HD11 ' HE3' ' A' ' 174' ' ' LYS . 0.4 OUTLIER -101.91 -61.11 1.43 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.963 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 58.63 21.9 9.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 179.832 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.642 HD12 ' CD2' ' A' ' 67' ' ' LEU . 24.6 mt -84.15 158.45 61.25 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.622 0.725 . . . . 0.0 110.932 179.92 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo . . . . . 0 C--N 1.342 0.203 0 C-N-CA 122.657 2.238 . . . . 0.0 112.421 179.792 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.5 mttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.725 0.298 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.2 mt 70.98 -69.04 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.413 ' O ' HD23 ' A' ' 97' ' ' LEU . 7.2 t -50.92 -46.44 60.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.04 -52.57 64.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.857 -179.809 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.04 -51.2 60.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.442 -179.937 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.764 HD12 HD11 ' A' ' 129' ' ' ILE . 2.9 mm? -54.13 -50.98 65.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.897 0.38 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 93' ' ' SER . 2.7 mm? -55.33 -49.54 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.95 179.822 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -56.84 17.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.684 ' HB3' HD13 ' A' ' 176' ' ' LEU . 24.7 m-85 -53.98 -42.91 69.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.804 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.406 ' HA ' HD21 ' A' ' 103' ' ' LEU . 43.8 t-80 -58.26 -47.87 82.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.4 p -63.35 -34.81 78.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.468 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.7 m-85 -65.94 -64.65 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' A' ' 100' ' ' HIS . 1.3 pp -52.27 -40.25 61.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -62.08 -49.02 77.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.773 ' CE1' HG22 ' A' ' 154' ' ' THR . 7.5 t80 -57.41 -45.02 85.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 -179.822 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.438 ' HG2' HD11 ' A' ' 110' ' ' LEU . 33.8 ttp -72.33 -26.21 61.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.922 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -29.81 64.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.922 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -59.6 -23.91 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -144.29 95.88 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.688 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.1 mt -149.06 177.54 9.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -72.14 -176.13 1.69 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.99 -51.23 65.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.831 179.918 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -70.62 -47.81 58.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.822 -179.882 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.688 ' CB ' HD22 ' A' ' 110' ' ' LEU . 1.3 mmmp? -55.68 -39.57 71.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -67.58 -43.64 80.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.91 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -57.69 -49.36 76.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -71.32 -40.65 70.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.63 -44.36 73.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 179.827 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.19 -49.58 73.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.47 ' HA ' ' CG ' ' A' ' 123' ' ' ARG . 70.6 t -63.36 -32.36 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.607 HD21 HG12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -68.67 -43.81 75.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.963 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -66.13 -53.64 35.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.47 ' CG ' ' HA ' ' A' ' 120' ' ' VAL . 0.8 OUTLIER -57.35 -45.45 84.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.934 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -58.63 -51.11 71.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.678 HG22 ' CD1' ' A' ' 129' ' ' ILE . 24.4 m -57.93 -45.95 85.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -61.22 -36.64 80.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.476 ' O ' HD12 ' A' ' 131' ' ' ILE . 22.4 m -65.95 -56.18 13.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.08 -32.02 70.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.764 HD11 HD12 ' A' ' 96' ' ' LEU . 64.1 mt -72.59 -38.2 58.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.83 -41.82 78.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.863 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.476 HD12 ' O ' ' A' ' 127' ' ' THR . 6.3 mt -70.17 -44.15 78.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 -179.947 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.534 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.2 m-85 -67.48 -43.98 79.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.986 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -64.99 -44.05 90.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -62.83 -51.44 67.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.03 -51.98 67.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 132' ' ' PHE . 98.0 t -63.72 -32.65 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -69.2 -35.04 75.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -74.9 -48.89 22.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.965 -179.951 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.028 0.442 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -51.11 -47.94 61.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.29 -53.07 61.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.022 179.904 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.8 mp -51.91 -54.46 29.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.81 -63.76 1.04 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.875 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.773 HG22 ' CE1' ' A' ' 105' ' ' TYR . 51.6 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 179.865 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -29.95 22.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.824 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.45 -26.9 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.099 -179.889 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -69.3 -68.82 0.38 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.9 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.3 m -48.34 -44.27 34.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.2 mm -63.49 -45.4 97.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.17 179.921 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -63.33 -30.65 71.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.845 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -71.5 -55.39 7.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.468 HD12 ' HB3' ' A' ' 102' ' ' TYR . 13.3 pt -59.11 -39.25 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.141 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.94 -48.58 65.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 179.837 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . 0.761 ' HE3' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -57.34 -52.11 66.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.872 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.26 -44.06 97.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.783 -179.921 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.684 HD13 ' HB3' ' A' ' 99' ' ' TYR . 16.5 tp -54.38 -51.19 65.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -56.08 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -52.67 -38.93 61.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -64.74 -50.88 65.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 97.8 mt -57.12 -37.11 71.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . 0.576 ' HG3' HD11 ' A' ' 38' ' ' LEU . 11.3 mtpp -67.55 -62.27 1.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 179.741 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 13.6 p -54.19 -31.66 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.859 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 76.5 m -71.15 -47.93 54.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.132 -179.94 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.514 ' O ' HD13 ' A' ' 184' ' ' LEU . 1.2 tm? -59.25 -45.69 90.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.983 179.903 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -37.46 74.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.8 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 26.4 t -59.35 -51.47 69.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -179.739 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.0 t -65.04 -25.96 68.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 -179.865 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.995 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.817 HG23 HG22 ' A' ' 26' ' ' THR . 4.9 m . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.89 0.376 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 63.81 54.18 1.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.817 HG22 HG23 ' A' ' 24' ' ' VAL . 7.5 t -121.07 165.16 15.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.97 -34.06 19.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 -179.912 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.07 -48.01 63.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.855 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.51 ' H ' HG23 ' A' ' 26' ' ' THR . 0.8 OUTLIER -58.4 -51.41 69.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.868 -179.984 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 31' ' ' GLY . 19.3 m -61.34 -44.04 97.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.435 ' N ' HG23 ' A' ' 30' ' ' VAL . . . -55.98 -52.59 48.0 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.525 179.93 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.31 -38.62 96.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.929 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.687 HD21 ' O ' ' A' ' 124' ' ' ASP . 2.4 tt -66.83 -38.87 87.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.71 0.29 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.56 ' O ' HD23 ' A' ' 38' ' ' LEU . 17.1 mm -64.52 -54.71 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.054 0.454 . . . . 0.0 111.189 179.871 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 31' ' ' GLY . 5.2 t -59.65 -40.58 88.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.969 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -64.86 -55.15 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.86 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -31.75 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.159 179.984 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.639 ' O ' HG23 ' A' ' 42' ' ' VAL . 2.1 mm? -67.95 -48.8 64.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -62.24 -41.35 98.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.011 179.889 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.45 ' HB3' HD11 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -63.29 -50.53 69.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.978 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.7 mt -56.29 -44.86 80.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 38' ' ' LEU . 89.8 t -60.07 -53.2 51.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.833 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -57.93 -48.72 79.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -31.64 72.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.647 ' HA ' HD13 ' A' ' 173' ' ' LEU . 15.9 ttp180 -67.1 -51.35 55.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -72.36 -28.15 62.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.32 -34.72 61.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.464 HD21 HG21 ' A' ' 169' ' ' ILE . 8.3 mp -64.07 -26.38 68.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.2 m -95.91 28.06 3.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 179.988 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 t30 61.99 28.35 17.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.93 35.92 92.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.433 179.972 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -87.41 110.49 20.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.1 -26.65 39.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.861 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -68.85 -46.18 69.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.786 179.998 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.02 -35.72 47.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.7 mtp -54.26 -31.94 54.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -130.98 32.45 4.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -80.48 -60.7 2.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.81 23.4 13.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -83.33 -27.03 30.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.33 -25.36 61.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.77 -39.35 4.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.579 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -58.55 -34.32 70.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.044 179.796 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -54.95 -29.55 56.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -122.11 29.8 6.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -143.32 26.05 1.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -89.35 137.87 31.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.974 179.983 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.47 -25.97 18.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.485 HD23 ' HE1' ' A' ' 99' ' ' TYR . 9.4 mp -64.08 160.63 46.41 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.58 0.705 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.172 0 C-N-CA 122.633 2.222 . . . . 0.0 112.354 179.861 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.776 0.322 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.6 mt 70.86 -70.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.142 179.866 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.2 m -53.28 -49.6 66.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.91 -52.62 59.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.82 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.67 -47.92 85.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 179.958 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.406 HD23 HG12 ' A' ' 129' ' ' ILE . 4.6 mp -55.03 -46.09 75.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.927 -179.94 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -49.4 75.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.995 179.859 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.5 -50.87 72.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.808 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.544 ' HB3' HD13 ' A' ' 176' ' ' LEU . 18.2 m-85 -55.65 -51.91 65.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.844 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.483 ' HA ' HD21 ' A' ' 103' ' ' LEU . 31.1 t-80 -54.21 -44.9 72.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.791 -179.986 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -39.27 92.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.841 -179.759 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.41 ' HB3' HD12 ' A' ' 172' ' ' ILE . 20.0 m-85 -64.35 -63.86 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.935 -179.902 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.516 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.5 pp -51.79 -39.34 58.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.516 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -66.57 -39.35 88.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.796 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -67.08 -43.29 82.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.971 -179.881 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.691 ' HE2' HD11 ' A' ' 110' ' ' LEU . 8.7 ttt -74.61 -29.25 61.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.896 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -31.02 69.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -64.32 -37.0 85.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.58 93.74 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.691 HD11 ' HE2' ' A' ' 106' ' ' MET . 8.6 mt -148.99 170.67 17.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -70.82 -176.25 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.28 -51.07 69.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.36 -45.11 41.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.679 ' HB3' HD22 ' A' ' 110' ' ' LEU . 12.8 mmtm -55.94 -37.08 68.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.881 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -67.57 -49.48 63.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 179.82 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.23 -48.3 74.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.924 179.845 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.5 mmpp? -70.0 -39.92 75.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.94 -45.72 74.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.833 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.6 ttp85 -55.45 -50.08 70.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.05 -41.09 85.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.45 HD11 ' HB3' ' A' ' 40' ' ' GLU . 0.6 OUTLIER -60.61 -46.73 89.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.931 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.97 -50.82 71.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -53.58 50.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.798 -179.894 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.687 ' O ' HD21 ' A' ' 33' ' ' LEU . 34.1 m-20 -54.0 -53.08 57.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.853 179.987 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.456 HG22 ' CD1' ' A' ' 129' ' ' ILE . 8.9 m -53.43 -47.5 69.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.903 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -62.81 -29.88 71.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.503 ' O ' HD12 ' A' ' 131' ' ' ILE . 8.8 m -69.62 -56.62 6.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 -179.852 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.3 pp -60.9 -34.84 75.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.456 ' CD1' HG22 ' A' ' 125' ' ' THR . 73.7 mt -69.35 -45.16 79.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.911 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -60.7 -47.8 84.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.503 HD12 ' O ' ' A' ' 127' ' ' THR . 7.2 mt -62.64 -52.64 57.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 -179.921 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.93 -47.95 83.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.819 -179.975 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -57.64 -41.26 81.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -63.05 -49.56 74.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -57.38 -52.15 66.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.957 -179.942 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.1 p -65.69 -29.21 46.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.906 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.32 -37.79 77.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.51 -47.83 25.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.862 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.6 tt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.999 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.651 ' O ' HD12 ' A' ' 153' ' ' LEU . 0.7 OUTLIER . . . . . 0 CA--C 1.526 0.032 0 CA-C-O 120.827 0.346 . . . . 0.0 110.821 . . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -50.55 -34.61 26.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -65.97 -46.57 77.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.73 -50.89 70.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.651 HD12 ' O ' ' A' ' 149' ' ' SER . 1.0 OUTLIER -57.87 -58.04 10.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 179.888 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.969 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.745 0.307 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -80.58 -27.13 37.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -26.9 12.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 -179.962 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -69.34 -70.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 95.1 m -49.15 -45.45 43.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.464 HG21 HD21 ' A' ' 48' ' ' LEU . 1.7 mp -61.21 -46.52 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.919 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -62.08 -31.46 71.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -70.37 -55.26 9.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.426 HG22 HD21 ' A' ' 69' ' ' LEU . 20.0 pt -59.63 -36.05 63.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.18 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 45' ' ' ARG . 11.8 mt -67.61 -56.15 10.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 179.898 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -60.45 -47.63 85.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 179.812 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 3.0 t -59.1 -45.38 91.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.544 HD13 ' HB3' ' A' ' 99' ' ' TYR . 19.7 tp -58.41 -55.07 39.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.008 179.86 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . 0.533 ' CD ' HG22 ' A' ' 42' ' ' VAL . 7.6 tt0 -52.98 -56.92 12.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.822 179.948 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.563 ' O ' HG23 ' A' ' 182' ' ' VAL . 4.2 mm-40 -55.0 -49.12 72.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.847 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -54.63 -44.98 73.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.68 -48.59 81.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 -179.911 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -55.17 -49.83 70.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 179.814 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 178' ' ' GLU . 39.2 t -58.52 -47.4 88.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.153 179.878 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 27.5 m -56.62 -43.64 80.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.447 ' HG ' HG21 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -62.71 -51.29 67.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.996 179.905 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -61.22 -33.62 73.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 28.4 t -67.1 -51.15 57.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.774 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 184' ' ' LEU . 10.4 t -67.07 -23.88 65.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.096 -179.916 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.92 179.933 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 24' ' ' VAL . 13.8 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.887 0.375 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 63.96 26.9 14.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 -179.903 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.0 p -93.66 170.41 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 -179.925 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 p -51.46 -44.31 62.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 179.946 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -53.84 -51.62 63.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.76 -179.831 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -60.89 -37.8 83.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.854 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.9 t -65.93 -50.17 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.234 179.86 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.426 ' O ' HG23 ' A' ' 35' ' ' THR . . . -58.58 -51.77 56.89 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.926 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.98 -39.7 97.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.488 -179.918 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.65 -52.64 42.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.774 0.321 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.575 ' CD1' HD23 ' A' ' 184' ' ' LEU . 46.7 mt -56.07 -43.24 74.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.882 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 31' ' ' GLY . 32.5 p -63.69 -44.43 93.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.219 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -58.11 -55.16 38.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.779 179.895 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.704 HG22 HD11 ' A' ' 41' ' ' ILE . 7.5 p -60.72 -35.41 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 179.967 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.653 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -59.74 -48.24 82.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 179.935 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -66.87 -41.44 87.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.854 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -60.17 -43.88 95.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.704 HD11 HG22 ' A' ' 37' ' ' VAL . 30.9 mt -66.46 -49.25 76.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.259 179.865 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.659 HG22 ' OE1' ' A' ' 177' ' ' GLU . 96.4 t -55.7 -42.83 71.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 179.791 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -68.57 -44.31 74.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.486 ' SD ' HD11 ' A' ' 173' ' ' LEU . 0.9 OUTLIER -64.78 -32.05 73.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.955 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -73.78 -51.23 17.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.899 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -28.7 67.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -64.1 -39.34 93.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.618 HD21 HG21 ' A' ' 169' ' ' ILE . 1.1 mp -53.72 -28.24 32.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.4 35.91 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 t30 57.39 30.37 18.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.64 45.17 96.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 179.963 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -91.81 110.8 22.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.36 . . . . 0.0 110.924 -179.891 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.7 p -57.3 -29.8 64.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -72.84 -37.56 67.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.816 -179.968 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.8 t -56.4 -26.45 53.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 21.0 mtp -62.82 -43.7 98.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -116.48 35.13 4.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -86.57 -69.18 0.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.29 27.13 7.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 179.964 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -80.09 -26.14 39.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.36 -65.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.102 179.9 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.75 -42.97 94.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.455 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -53.22 -39.51 63.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 179.731 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -68.05 -29.31 68.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -105.78 32.14 4.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -148.6 26.09 0.94 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.523 HD11 ' HD2' ' A' ' 174' ' ' LYS . 0.2 OUTLIER -93.67 133.45 37.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 179.953 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -75.73 -22.83 56.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.863 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.8 154.66 78.22 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.577 0.703 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.145 0 C-N-CA 122.731 2.287 . . . . 0.0 112.353 179.838 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.801 0.334 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.499 HG23 ' CE2' ' A' ' 179' ' ' PHE . 33.8 mt -119.28 -32.33 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 179.912 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.0 p -61.52 -37.9 85.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.7 m -61.41 -52.18 65.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.78 -51.23 60.25 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.779 HD12 HD11 ' A' ' 129' ' ' ILE . 0.9 OUTLIER -56.66 -49.84 73.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.943 0.401 . . . . 0.0 110.879 -179.907 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 21.2 mt -54.67 -49.39 70.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -48.48 75.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -58.3 -43.62 88.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.845 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -58.92 -46.27 88.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.906 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.9 m -63.91 -39.34 93.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.44 ' HB3' HD12 ' A' ' 172' ' ' ILE . 17.8 m-85 -62.57 -63.96 1.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.86 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.512 HD12 ' N ' ' A' ' 104' ' ' GLU . 3.4 pp -53.74 -38.3 64.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.512 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -63.91 -40.92 97.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 179.957 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.765 ' CE1' HG22 ' A' ' 154' ' ' THR . 7.6 t80 -64.92 -52.1 58.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.836 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.516 ' CE ' HD11 ' A' ' 110' ' ' LEU . 4.1 ptt? -66.2 -27.25 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 179.888 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -32.27 71.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.8 -45.37 92.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.897 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -122.04 94.3 4.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.651 HD13 ' HB3' ' A' ' 114' ' ' LYS . 5.1 mt -149.08 178.01 9.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -77.06 -176.03 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.854 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -65.18 -51.02 63.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -66.94 -51.78 51.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.651 ' HB3' HD13 ' A' ' 110' ' ' LEU . 10.0 mmpt? -54.78 -34.13 62.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.892 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.65 -53.08 17.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.978 179.863 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -54.24 -39.24 66.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.855 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -79.32 -33.14 43.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.949 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.49 81.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.068 179.798 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -55.59 -49.33 73.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.2 t -60.95 -41.6 89.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.473 HD21 HG12 ' A' ' 41' ' ' ILE . 1.5 mp -62.55 -48.94 77.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -57.71 -54.03 51.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.992 179.888 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -53.98 -51.0 65.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.28 -51.86 65.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.582 HG22 ' CD1' ' A' ' 129' ' ' ILE . 9.2 m -52.84 -45.93 67.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 -179.878 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -60.31 -44.02 95.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 179.949 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.5 m -62.74 -56.04 21.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.619 HD23 ' N ' ' A' ' 129' ' ' ILE . 0.2 OUTLIER -54.6 -51.98 63.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.912 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.779 HD11 HD12 ' A' ' 96' ' ' LEU . 97.0 mt -57.67 -39.6 70.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.06 179.875 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.22 -48.32 82.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 51.0 mt -67.4 -52.17 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.173 179.938 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.65 ' O ' HG23 ' A' ' 136' ' ' VAL . 4.4 m-85 -56.57 -44.75 81.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -62.81 -48.77 77.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -49.07 69.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -60.72 -52.09 66.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 132' ' ' PHE . 90.3 t -55.67 -55.03 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.148 179.941 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -54.16 -42.34 69.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.807 179.978 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -68.45 -29.35 67.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.862 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.962 -179.966 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.2 p . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.937 0.398 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . 0.463 ' O ' HG23 ' A' ' 154' ' ' THR . 5.1 t-20 -50.84 -46.63 60.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -57.99 -49.87 75.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.01 179.888 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 18.2 mt -54.32 -55.92 23.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.908 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.512 ' CD1' HG21 ' A' ' 168' ' ' THR . 3.9 mm? -52.7 -61.99 1.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.845 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.765 HG22 ' CE1' ' A' ' 105' ' ' TYR . 64.0 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.835 0.35 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -58.99 -26.44 64.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.91 -25.26 19.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 -179.938 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -69.34 -70.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.86 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . 0.512 HG21 ' CD1' ' A' ' 153' ' ' LEU . 11.6 m -50.31 -45.18 54.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.618 HG21 HD21 ' A' ' 48' ' ' LEU . 1.5 mp -60.02 -48.71 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 179.866 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.69 -32.22 71.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 179.878 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -54.37 18.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.44 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.3 pt -62.95 -38.76 82.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.486 HD11 ' SD ' ' A' ' 44' ' ' MET . 3.5 mm? -68.88 -59.27 3.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.956 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . 0.523 ' HD2' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -56.19 -31.79 63.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.91 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 32.8 t -70.15 -52.03 26.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.0 tp -57.27 -45.25 84.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . 0.659 ' OE1' HG22 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -61.52 -51.73 67.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.908 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.558 ' O ' HG22 ' A' ' 182' ' ' VAL . 13.2 mm-40 -58.41 -37.34 75.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.931 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.499 ' CE2' HG23 ' A' ' 92' ' ' ILE . 32.3 t80 -73.7 -29.43 62.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.461 HD12 ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -74.31 -49.29 23.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.959 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -61.66 -45.36 94.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.774 179.897 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 178' ' ' GLU . 33.4 m -66.93 -39.38 83.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.106 179.965 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.415 ' N ' HG23 ' A' ' 182' ' ' VAL . 12.0 m -66.4 -35.44 80.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 179.987 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.575 HD23 ' CD1' ' A' ' 34' ' ' ILE . 2.6 tm? -71.98 -48.52 44.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -68.41 -27.93 66.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 -179.971 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 30.0 t -75.31 -52.04 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.847 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.8 t -63.87 -24.93 67.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.965 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.402 HG13 HG23 ' A' ' 26' ' ' THR . 8.9 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.796 0.331 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 63.36 47.95 3.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.402 HG23 HG13 ' A' ' 24' ' ' VAL . 9.3 p -98.34 163.35 12.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.105 -179.969 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.91 -47.11 64.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.081 -179.915 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.7 m -51.56 -51.45 55.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -60.04 -38.75 83.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.0 -179.925 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.3 t -62.39 -54.4 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.961 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.711 ' O ' HG23 ' A' ' 35' ' ' THR . . . -57.12 -52.4 51.61 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.496 179.997 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.23 -40.81 94.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.451 -179.899 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.818 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.1 OUTLIER -64.57 -48.86 73.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.741 0.305 . . . . 0.0 110.906 -179.812 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.674 HG21 ' HG ' ' A' ' 184' ' ' LEU . 21.6 mm -56.17 -42.33 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.206 179.779 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.711 HG23 ' O ' ' A' ' 31' ' ' GLY . 29.9 p -65.59 -44.43 86.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.246 179.842 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -58.61 -55.14 38.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.869 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.716 HG22 HD11 ' A' ' 41' ' ' ILE . 8.9 p -59.49 -36.2 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.687 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -59.93 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.967 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 58.2 t90 -64.99 -43.3 93.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -45.08 94.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.716 HD11 HG22 ' A' ' 37' ' ' VAL . 36.4 mt -63.17 -44.46 99.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.695 HG22 ' OE1' ' A' ' 177' ' ' GLU . 99.1 t -59.31 -46.14 92.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 179.872 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -67.68 -43.98 78.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -31.92 73.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 179.895 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -72.74 -51.21 20.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.16 -28.68 66.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 -179.916 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -53.89 -37.51 63.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.0 mt -55.16 -33.95 63.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.6 m -96.47 40.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 54.95 30.23 13.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.86 41.04 95.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.51 179.946 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -95.01 110.22 22.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 110.831 -179.841 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.3 p -55.18 -28.94 56.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.82 -179.871 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -61.55 -39.34 90.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.7 t -55.1 -29.4 57.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 7.8 mtt -65.92 -48.98 69.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -102.66 35.52 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -88.74 -60.38 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.927 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -121.15 37.96 4.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -103.89 31.07 4.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.786 -179.945 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.93 -25.45 8.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.95 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.87 -34.5 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.97 -41.0 74.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.759 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -53.82 -29.03 38.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -115.31 35.31 4.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -156.18 28.84 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.38 134.48 38.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -25.31 65.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mt -79.02 154.78 77.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 0.0 110.936 179.869 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.464 -0.222 0 C-N-CA 122.8 2.333 . . . . 0.0 112.345 179.811 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.687 0.279 . . . . 0.0 110.808 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 78.3 mt -113.76 -24.04 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 179.885 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.6 p -66.94 -42.44 85.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -52.63 59.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.82 -179.784 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.3 -51.09 60.94 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 -179.996 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mp -52.78 -53.04 53.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.941 0.401 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -49.16 72.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -52.72 -47.8 67.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -59.84 -46.62 88.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.885 -179.841 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -54.62 -46.65 73.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.7 t -65.38 -39.47 92.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.943 -179.834 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.731 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.6 m-85 -59.72 -64.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.929 -179.862 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 104' ' ' GLU . 3.2 pp -53.74 -43.22 68.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.547 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.1 mm-40 -56.2 -43.55 78.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -65.4 -41.1 94.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.54 ' HE3' HD21 ' A' ' 110' ' ' LEU . 2.6 ttt -66.6 -35.8 81.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.585 ' HZ2' ' HB1' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -51.94 -43.9 63.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.997 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -59.03 -19.94 48.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -136.16 85.8 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.817 HD22 ' HB3' ' A' ' 114' ' ' LYS . 11.3 mt -149.5 155.74 40.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.018 179.909 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -68.26 -176.03 0.69 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -64.07 -51.15 65.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.841 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -70.42 -46.37 64.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.817 ' HB3' HD22 ' A' ' 110' ' ' LEU . 1.1 mmmp? -55.9 -46.7 78.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -58.41 -48.52 80.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.83 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.63 -50.36 65.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -68.12 -36.92 80.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.585 ' HB1' ' HZ2' ' A' ' 107' ' ' LYS . . . -54.96 -48.16 73.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.851 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -52.9 -49.16 66.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.6 t -61.24 -38.52 79.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -50.68 61.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -61.74 -30.03 70.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.993 179.899 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -70.28 -52.05 25.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -61.27 -39.18 89.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.45 ' HA ' HD23 ' A' ' 128' ' ' LEU . 7.9 m -65.4 -49.54 68.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.875 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -60.1 -36.57 77.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 18.7 m -67.01 -55.95 12.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 -179.856 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.818 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -58.42 -33.25 69.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.995 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 41.9 mt -70.54 -43.18 78.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.891 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -64.14 -40.95 97.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 89.3 mt -66.62 -51.86 52.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -63.65 -50.19 70.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -57.38 -41.93 81.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -63.54 -47.15 82.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.55 -52.23 65.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 33.8 m -67.27 -33.54 63.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 11.9 tttp -70.0 -27.24 64.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.86 -45.58 14.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 179.813 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.54 ' O ' HD12 ' A' ' 153' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.029 0 CA-C-O 120.908 0.385 . . . . 0.0 110.868 . . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 154' ' ' THR . 54.0 t30 -50.91 -41.4 58.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.88 94.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.161 179.861 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.86 -57.44 9.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 149' ' ' SER . 1.0 OUTLIER -55.5 -53.17 59.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.922 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 150' ' ' ASN . 72.9 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 -179.996 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 78.7 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.802 0.334 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -64.84 -43.12 94.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.807 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.14 -26.87 12.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 -179.881 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -69.83 -69.69 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.1 m -48.77 -44.39 38.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.87 -46.32 96.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 179.848 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -61.24 -33.42 73.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -55.3 9.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.731 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.3 pt -61.12 -36.24 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.208 -179.985 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 18.6 mt -67.31 -52.32 41.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -58.03 -41.42 83.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 179.885 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 3.1 p -64.22 -47.5 79.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.0 tp -56.53 -53.49 56.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . 0.695 ' OE1' HG22 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -57.24 -56.07 26.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 179.942 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -56.85 -30.03 63.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.484 ' HA ' HG12 ' A' ' 182' ' ' VAL . 40.4 t80 -76.1 -32.51 59.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.816 -179.867 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.414 HD12 ' CD1' ' A' ' 41' ' ' ILE . 44.3 mt -72.33 -45.68 58.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -43.0 71.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.87 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 179' ' ' PHE . 5.4 p -66.67 -33.24 62.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.136 179.846 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.518 ' O ' HG22 ' A' ' 187' ' ' THR . 18.6 m -75.54 -42.58 52.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.198 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.674 ' HG ' HG21 ' A' ' 34' ' ' ILE . 2.1 tm? -64.1 -40.99 97.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 179.953 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -74.38 -47.47 33.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 32.1 t -54.83 -52.21 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 183' ' ' THR . 13.9 t -66.32 -21.55 66.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.155 -179.966 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.94 179.949 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.9 t . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.836 0.35 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 63.76 29.83 14.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.82 -179.917 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -97.26 176.9 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 -179.981 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.05 -30.59 66.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 -179.876 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.7 m -68.95 -45.75 69.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -59.9 -51.32 70.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 31' ' ' GLY . 19.1 m -61.59 -42.73 95.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.418 ' N ' HG23 ' A' ' 30' ' ' VAL . . . -57.82 -52.28 53.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.44 179.986 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.42 -37.97 95.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.47 -179.938 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.696 HD21 ' O ' ' A' ' 124' ' ' ASP . 3.2 tt -66.41 -40.44 89.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.824 0.345 . . . . 0.0 110.855 -179.865 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.543 ' O ' HD23 ' A' ' 38' ' ' LEU . 12.0 mm -64.84 -49.63 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.863 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.9 p -61.56 -44.81 96.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -62.53 -54.99 31.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -31.83 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.669 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.9 OUTLIER -66.99 -48.83 67.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.994 179.899 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -62.52 -41.38 98.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.85 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.417 ' HB3' HD11 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -62.94 -50.45 70.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.997 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.9 mt -57.25 -44.74 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 38' ' ' LEU . 99.0 t -59.54 -57.06 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.023 179.911 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -57.9 -45.37 86.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.9 ttt -63.17 -31.85 73.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -69.67 -51.21 36.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -70.52 -28.49 64.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.997 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -53.86 -34.85 60.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.908 HD23 HG22 ' A' ' 166' ' ' THR . 9.9 mp -55.3 -33.4 63.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.9 m -96.42 34.57 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.878 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 t30 62.24 26.83 16.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.06 39.09 96.1 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.538 -179.991 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -93.22 112.22 24.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.763 0.316 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.9 p -55.29 -26.85 42.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 -179.794 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.02 -47.08 81.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -27.59 38.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 30.9 mtp -65.22 -34.82 79.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.851 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -121.3 28.5 7.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -98.0 -56.17 2.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.781 -179.953 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -96.29 26.28 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.839 179.979 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -96.19 26.42 4.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.804 -179.933 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.29 -29.47 7.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.884 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.57 -38.96 3.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.464 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -61.56 -37.42 83.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 179.857 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -67.52 -29.06 68.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -105.22 27.1 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -139.16 26.63 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -104.59 133.19 49.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 -179.977 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.75 25.74 10.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.874 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.409 HD22 ' CB ' ' A' ' 175' ' ' SER . 10.5 mp -84.11 160.61 57.22 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.574 0.702 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.741 2.294 . . . . 0.0 112.299 179.909 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 mttm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.769 0.318 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 43.6 mt -115.55 -29.14 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.883 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.583 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -65.94 -50.08 65.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.874 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 t -59.0 -51.98 67.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.93 -51.0 59.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.607 179.946 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.66 HD13 HG12 ' A' ' 129' ' ' ILE . 30.9 mt -54.59 -53.6 52.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.903 0.383 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 93' ' ' SER . 0.3 OUTLIER -53.06 -49.11 67.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.948 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.4 -51.67 64.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.899 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.411 ' HB3' HD13 ' A' ' 176' ' ' LEU . 34.0 m-85 -54.69 -49.03 71.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.986 -179.884 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -54.33 -49.72 69.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.918 179.86 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.1 m -61.22 -36.32 79.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.75 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.507 ' HD1' HD11 ' A' ' 153' ' ' LEU . 17.8 m-85 -63.43 -64.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.835 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.5 pp -55.22 -35.13 64.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.006 179.91 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.462 ' N ' HD12 ' A' ' 103' ' ' LEU . 2.3 mm-40 -66.15 -41.61 90.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.867 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.681 ' CD2' HD13 ' A' ' 153' ' ' LEU . 35.5 t80 -65.79 -52.14 53.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.858 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 13.1 ptm -63.77 -32.38 73.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -67.45 -25.99 66.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -59.86 -39.21 84.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.959 179.903 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -125.94 96.57 4.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.808 -179.962 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.628 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.9 mt -145.48 173.68 11.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -73.35 -175.89 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.4 -51.18 68.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.8 179.863 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -72.08 -48.01 47.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.628 ' CB ' HD22 ' A' ' 110' ' ' LEU . 1.2 mmmp? -55.92 -33.93 65.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -67.37 -46.08 74.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.939 179.818 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.49 -46.01 91.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 179.881 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -68.78 -47.4 66.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.96 -43.34 73.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 179.917 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -49.65 72.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.2 t -61.69 -43.31 96.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.417 HD11 ' HB3' ' A' ' 40' ' ' GLU . 3.2 mp -55.98 -50.19 71.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.1 tm0? -61.24 -48.16 82.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -55.56 -53.27 58.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.696 ' O ' HD21 ' A' ' 33' ' ' LEU . 3.1 m-20 -55.01 -55.21 33.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.3 m -56.25 -44.32 79.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.209 -179.958 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -53.36 53.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.551 HG22 HD11 ' A' ' 131' ' ' ILE . 97.5 m -61.7 -37.29 83.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.065 -179.816 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.555 HD23 HD22 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -63.09 -52.06 64.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.992 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.66 HG12 HD13 ' A' ' 96' ' ' LEU . 27.9 mt -61.06 -38.08 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.819 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -46.23 88.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.859 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.551 HD11 HG22 ' A' ' 127' ' ' THR . 20.0 mt -63.41 -53.01 50.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.544 ' O ' HG23 ' A' ' 136' ' ' VAL . 2.4 m-85 -59.84 -50.02 75.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -61.7 -37.83 85.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.56 -53.4 56.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -60.87 -51.82 67.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 132' ' ' PHE . 94.7 t -57.89 -40.08 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.042 -179.986 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -67.01 -39.72 87.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -48.02 79.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.886 179.869 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.9 tt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.933 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.908 0.385 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . 0.484 ' O ' HG23 ' A' ' 154' ' ' THR . 7.8 t30 -56.34 -49.08 75.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.91 -49.57 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.934 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.6 mp -56.92 -59.94 4.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.681 HD13 ' CD2' ' A' ' 105' ' ' TYR . 15.5 mt -53.32 -55.34 25.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.817 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 150' ' ' ASN . 72.6 p . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 -179.988 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.726 0.298 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -71.33 -32.31 68.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . 0.908 HG22 HD23 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -53.09 -26.07 15.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.174 -179.895 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -69.75 -70.08 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.4 m -49.42 -45.21 46.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.68 -49.95 82.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.892 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -61.3 -29.59 69.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -55.49 9.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.811 -179.848 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 102' ' ' TYR . 21.3 pt -60.39 -35.67 64.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.149 179.999 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.08 -51.62 52.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.956 179.879 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -57.01 -48.01 79.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.811 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.409 ' CB ' HD22 ' A' ' 69' ' ' LEU . 2.7 p -61.03 -46.63 89.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.411 HD13 ' HB3' ' A' ' 99' ' ' TYR . 9.9 tp -55.56 -48.12 75.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -54.5 45.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 182' ' ' VAL . 24.7 mt-10 -54.61 -50.24 68.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.49 -34.65 74.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 4.3 mt -63.86 -61.73 2.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -44.43 68.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.83 179.807 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 178' ' ' GLU . 77.0 t -60.97 -41.52 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.15 179.914 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.487 ' O ' HG22 ' A' ' 187' ' ' THR . 74.3 m -63.24 -44.49 95.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -179.947 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.515 ' O ' HD13 ' A' ' 184' ' ' LEU . 0.7 OUTLIER -63.39 -43.82 96.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.976 179.982 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -70.24 -33.67 71.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.856 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 29.3 t -72.37 -52.14 17.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.763 -179.737 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 183' ' ' THR . 14.6 t -65.34 -16.94 64.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.935 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.947 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.524 HG23 ' H ' ' A' ' 26' ' ' THR . 17.0 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.9 0.381 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 61.93 33.31 17.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.524 ' H ' HG23 ' A' ' 24' ' ' VAL . 45.6 p -96.61 165.97 11.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.246 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.22 -33.78 42.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 m -69.05 -44.65 72.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -51.06 70.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 31' ' ' GLY . 18.5 m -60.67 -42.14 90.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 -179.952 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.714 ' O ' HG23 ' A' ' 35' ' ' THR . . . -59.24 -53.39 46.7 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.519 179.985 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.09 -44.75 97.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.909 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.78 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.1 OUTLIER -62.84 -44.46 96.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 0.0 110.957 -179.968 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.673 HG21 ' HG ' ' A' ' 184' ' ' LEU . 9.9 mm -57.58 -42.52 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 31' ' ' GLY . 26.8 p -66.5 -43.25 85.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.959 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -55.48 34.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.42 HG22 ' CD1' ' A' ' 41' ' ' ILE . 7.7 p -59.07 -39.94 79.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.742 HD22 HD13 ' A' ' 180' ' ' LEU . 0.3 OUTLIER -54.99 -49.06 72.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.996 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -66.9 -38.84 86.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.471 ' HB3' HD11 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -61.69 -43.59 98.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 179.947 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.42 ' CD1' HG22 ' A' ' 37' ' ' VAL . 65.3 mt -65.42 -49.13 80.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.07 -179.973 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 38' ' ' LEU . 74.2 t -55.02 -58.7 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.892 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -46.84 78.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.455 ' HE1' ' HB2' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -59.97 -31.6 70.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.992 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.401 ' HA ' HD13 ' A' ' 173' ' ' LEU . 8.1 ttp85 -71.85 -51.34 22.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -67.98 -28.92 67.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -55.13 -35.36 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.25 -29.74 70.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -96.11 32.87 1.83 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 179.908 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.82 32.38 15.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.86 44.11 98.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.441 179.869 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -100.25 113.26 25.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.824 0.345 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 85.5 p -63.04 -39.49 94.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -26.61 67.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.0 t -65.97 -26.69 67.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.1 mmm -72.85 -41.64 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -96.84 31.39 2.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -92.93 -61.64 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -99.66 30.03 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.803 179.99 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -97.72 30.5 2.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.63 -30.14 5.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.057 179.962 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.6 -38.83 3.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.78 -34.56 65.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.831 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.13 -28.71 58.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -122.63 38.97 4.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -154.05 28.68 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.951 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.5 139.6 34.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -25.46 45.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.52 154.69 78.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.687 0.756 . . . . 0.0 110.926 179.894 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.233 0 C-N-CA 122.684 2.256 . . . . 0.0 112.411 179.826 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.0 mttt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.731 0.3 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.5 mt -103.47 -24.43 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 179.891 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -50.03 68.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.894 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.4 t -56.49 -51.9 66.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.723 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.43 -52.04 54.14 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.443 179.993 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.421 HD23 HG12 ' A' ' 129' ' ' ILE . 1.3 mp -61.24 -38.67 87.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.84 0.353 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.516 HD23 ' N ' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -63.33 -48.91 76.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.976 179.839 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.516 ' N ' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -59.93 -52.38 65.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.914 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.649 ' HB3' HD13 ' A' ' 176' ' ' LEU . 21.7 m-85 -54.81 -46.57 74.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.003 -179.962 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -57.67 -49.66 75.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.812 179.941 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.8 m -61.89 -31.94 72.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.8 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.782 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.0 m-85 -67.95 -64.29 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.579 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.4 pp -52.79 -39.79 62.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.579 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -66.23 -43.59 86.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.971 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.749 ' CD2' HD13 ' A' ' 153' ' ' LEU . 45.8 t80 -59.61 -44.94 93.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.985 -179.909 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 18.9 ttp -75.0 -28.04 60.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.841 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -66.19 -31.24 71.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -59.84 -33.88 72.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -129.62 98.21 4.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 -179.961 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.613 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.6 mt -149.06 173.99 12.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -66.42 -176.17 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.834 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -62.94 -51.16 67.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.904 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.61 -44.75 41.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.613 ' CB ' HD22 ' A' ' 110' ' ' LEU . 20.6 mmtm -55.8 -37.21 68.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.9 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -67.31 -43.8 80.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.26 -48.51 81.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.788 179.935 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.451 ' O ' HD12 ' A' ' 121' ' ' LEU . 11.8 mmtt -69.7 -44.11 71.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.455 ' HB2' ' HE1' ' A' ' 44' ' ' MET . . . -54.77 -44.12 73.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.089 179.839 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -55.88 -49.84 72.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.477 ' O ' ' HG3' ' A' ' 123' ' ' ARG . 46.2 t -63.38 -32.8 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.902 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.471 HD11 ' HB3' ' A' ' 40' ' ' GLU . 0.3 OUTLIER -70.09 -36.5 74.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.979 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -71.39 -54.07 11.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -53.75 -44.84 70.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.892 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.474 ' N ' ' HE ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -64.31 -44.58 91.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.96 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.616 HG22 HD12 ' A' ' 129' ' ' ILE . 69.2 m -56.75 -45.0 82.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.906 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.2 -41.87 94.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.4 m -61.86 -56.01 23.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -179.894 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.78 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -60.88 -34.82 75.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.952 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.616 HD12 HG22 ' A' ' 125' ' ' THR . 23.2 mt -69.76 -33.68 57.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.869 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -72.15 -41.92 66.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.9 mt -67.2 -46.95 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.453 ' O ' HG23 ' A' ' 136' ' ' VAL . 2.0 m-85 -65.57 -49.97 66.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -60.24 -40.35 89.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -63.19 -53.54 51.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.21 -49.01 73.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 132' ' ' PHE . 97.7 t -64.03 -42.9 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -45.16 79.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -74.88 -30.61 61.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.832 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.857 0.36 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 154' ' ' THR . 0.9 OUTLIER -51.7 -47.5 63.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.96 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -63.15 -36.3 83.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.86 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 40.7 mt -62.5 -60.16 3.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.749 HD13 ' CD2' ' A' ' 105' ' ' TYR . 12.8 mt -56.37 -50.64 70.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 150' ' ' ASN . 71.2 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.836 0.351 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 10.6 ptt-85 -62.06 -26.77 68.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.74 -26.64 5.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 -179.95 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.45 -69.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.859 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.0 m -48.38 -42.33 31.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.9 mm -65.99 -43.72 92.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -63.09 -34.99 78.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.923 179.918 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -55.01 10.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.86 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.782 HD12 ' HB3' ' A' ' 102' ' ' TYR . 20.1 pt -60.36 -35.61 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 173' ' ' LEU . 18.1 mt -67.69 -53.48 27.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -58.55 -46.47 86.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.758 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 6.0 t -62.69 -42.21 99.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.649 HD13 ' HB3' ' A' ' 99' ' ' TYR . 7.0 tp -59.1 -55.79 30.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.939 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.54 -51.72 67.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -54.39 -50.14 68.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -63.73 -34.88 78.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.742 HD13 HD22 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -63.56 -67.25 0.44 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.891 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . 0.549 ' HD2' HG23 ' A' ' 182' ' ' VAL . 0.0 OUTLIER -52.01 -43.67 63.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.777 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.549 HG23 ' HD2' ' A' ' 181' ' ' LYS . 19.0 t -59.66 -41.8 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 179.834 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 55.2 m -64.68 -50.82 65.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.052 -179.946 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.673 ' HG ' HG21 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -55.06 -52.37 63.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.994 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -64.98 -33.36 75.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.88 -51.48 64.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.753 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.7 t -66.72 -24.4 66.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.818 -179.948 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.593 ' HB ' HG22 ' A' ' 26' ' ' THR . 21.7 t . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.866 0.365 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 63.39 26.01 14.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.642 HG23 ' H ' ' A' ' 29' ' ' GLN . 4.3 t -97.59 160.67 14.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.981 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.98 -35.41 46.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.93 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 t -67.7 -43.4 80.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.859 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.642 ' H ' HG23 ' A' ' 26' ' ' THR . 2.6 tm0? -62.29 -51.25 68.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 -179.998 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 m -61.83 -39.79 84.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.888 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.46 -52.81 48.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 179.934 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.58 -35.62 92.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.89 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 128' ' ' LEU . 10.2 tt -69.02 -39.34 79.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.637 ' CD1' HD23 ' A' ' 184' ' ' LEU . 34.3 mt -65.14 -49.05 81.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.149 179.865 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.7 t -62.63 -39.83 95.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -62.3 -55.35 29.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.429 HG22 HD11 ' A' ' 41' ' ' ILE . 13.7 p -60.2 -33.48 53.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 179.896 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.464 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -62.18 -49.06 77.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.958 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -64.43 -41.96 96.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.67 ' HB3' HD11 ' A' ' 121' ' ' LEU . 1.2 tm-20 -61.04 -41.99 97.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.953 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.429 HD11 HG22 ' A' ' 37' ' ' VAL . 57.7 mt -64.26 -47.42 89.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 -179.952 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 38' ' ' LEU . 96.8 t -58.58 -42.23 84.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 179.86 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.69 -42.29 64.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -31.61 72.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.2 ttp85 -77.13 -51.15 11.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.5 pttp -67.36 -28.65 68.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -54.13 -39.3 66.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.809 179.981 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.7 mt -56.28 -28.73 59.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.4 m -96.55 27.28 3.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.827 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.48 32.3 20.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 59.02 44.93 95.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.552 179.964 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -98.94 116.45 31.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -59.34 -31.73 69.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -64.4 -41.74 96.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.71 -26.71 64.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.6 mtp -69.35 -46.41 67.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -99.57 29.52 4.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -87.63 -53.57 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.14 23.05 14.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.805 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -98.75 29.71 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.32 -32.72 6.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.2 -26.42 7.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.37 -35.14 64.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.19 179.848 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -54.61 -27.4 39.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -121.7 35.22 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -146.29 27.35 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.826 -180.0 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.14 133.11 52.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.889 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -90.66 -24.22 20.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.805 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.411 HD23 ' HE1' ' A' ' 99' ' ' TYR . 8.6 mp -65.43 160.66 57.5 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.671 0.748 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.215 0 C-N-CA 122.667 2.245 . . . . 0.0 112.394 179.827 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.753 0.311 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 57.6 mt -110.95 -23.96 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.7 p -71.06 -48.47 52.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.898 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.54 -48.4 72.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.845 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.17 -52.44 47.4 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.41 HD13 ' HE2' ' A' ' 179' ' ' PHE . 1.1 mp -58.21 -55.5 34.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.863 0.363 . . . . 0.0 110.943 -179.878 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -52.93 -47.68 67.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.88 179.872 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.433 ' N ' HD23 ' A' ' 97' ' ' LEU . 4.8 mt-10 -54.74 -51.52 65.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.411 ' HE1' HD23 ' A' ' 69' ' ' LEU . 22.9 m-85 -55.77 -47.0 77.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.959 -179.879 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -55.04 -48.07 73.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.809 179.94 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.1 p -62.92 -37.1 85.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.785 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.1 m-85 -62.14 -62.95 1.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.51 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.5 pp -55.68 -37.14 67.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.51 ' N ' HD12 ' A' ' 103' ' ' LEU . 18.2 mt-10 -63.2 -42.28 99.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.937 179.907 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -69.4 -37.1 77.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.878 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.2 ttp -75.22 -28.39 59.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.81 179.934 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -67.45 -28.17 67.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -59.88 -33.59 72.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -132.33 97.09 4.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 179.917 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.503 HD22 ' HB3' ' A' ' 114' ' ' LYS . 6.1 mt -148.81 178.03 9.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -176.05 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 179.811 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.09 -51.14 63.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.865 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -75.92 -42.83 47.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.503 ' HB3' HD22 ' A' ' 110' ' ' LEU . 23.1 mmtm -55.88 -42.82 76.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.941 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -67.89 -48.04 67.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -50.05 61.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.838 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -72.71 -36.85 67.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.94 -45.52 74.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.002 179.912 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -55.52 -50.05 71.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.889 -179.859 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 78.1 t -60.39 -41.89 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.67 HD11 ' HB3' ' A' ' 40' ' ' GLU . 0.3 OUTLIER -58.25 -46.08 86.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.992 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -64.71 -40.66 95.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.06 -55.0 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.807 -179.938 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -37.82 86.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.594 HG22 HD12 ' A' ' 129' ' ' ILE . 86.4 m -59.88 -44.53 94.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 -179.914 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.94 -37.88 82.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.406 HG22 HD11 ' A' ' 131' ' ' ILE . 23.0 m -64.21 -56.56 13.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 -179.842 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.537 ' HB3' HD22 ' A' ' 33' ' ' LEU . 2.4 pp -61.53 -38.23 86.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.594 HD12 HG22 ' A' ' 125' ' ' THR . 22.3 mt -65.81 -36.41 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 179.773 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -41.45 74.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 128' ' ' LEU . 6.7 mt -64.91 -52.41 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.954 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.83 -50.27 72.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -57.94 -39.73 78.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.888 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -63.12 -51.63 65.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.76 -51.96 65.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.876 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.2 p -65.96 -28.06 42.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -39.54 78.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.21 -40.78 51.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.758 -179.945 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.6 m . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . 0.482 ' O ' HG23 ' A' ' 154' ' ' THR . 8.7 p-10 -51.5 -51.02 58.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.75 -34.24 74.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.795 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 47.7 mt -63.58 -58.78 5.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.55 -50.46 71.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 150' ' ' ASN . 60.4 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.217 179.945 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.83 0.347 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -37.16 84.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.882 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.32 -26.51 12.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.907 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -69.43 -70.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 179.868 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.9 m -48.64 -45.57 38.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.219 -179.992 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.39 -47.02 95.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -61.67 -32.96 73.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 179.967 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -55.16 11.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.785 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.9 pt -60.8 -35.95 67.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.52 -51.74 53.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 179.853 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -58.3 -46.89 85.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.793 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 2.6 t -60.03 -45.45 92.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.584 HD11 HD11 ' A' ' 180' ' ' LEU . 10.0 tp -57.63 -54.99 40.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -53.44 -57.07 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.9 -50.15 69.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.41 ' HE2' HD13 ' A' ' 96' ' ' LEU . 25.3 t80 -55.13 -41.7 72.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.584 HD11 HD11 ' A' ' 176' ' ' LEU . 48.6 mt -63.58 -40.54 97.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -66.02 -53.54 37.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.778 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 27.0 m -60.09 -34.16 55.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.046 179.941 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 89.7 m -73.11 -37.25 66.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.637 HD23 ' CD1' ' A' ' 34' ' ' ILE . 3.0 tm? -69.99 -36.84 75.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.897 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -80.64 -31.41 36.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.792 -179.954 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 10.9 m -74.92 -49.98 18.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.9 t -52.04 -29.63 21.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.104 -179.901 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 179.978 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.613 HG12 HG23 ' A' ' 26' ' ' THR . 21.4 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.872 0.367 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 63.53 27.75 15.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 179.987 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.613 HG23 HG12 ' A' ' 24' ' ' VAL . 12.8 p -83.53 177.01 8.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.141 -179.943 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.12 -33.58 74.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -43.58 78.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -50.5 71.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.611 ' CG1' HG21 ' A' ' 131' ' ' ILE . 23.4 m -62.33 -39.34 83.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.65 -52.87 48.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.437 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.12 -36.06 92.49 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 -179.924 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.582 HD21 ' N ' ' A' ' 128' ' ' LEU . 6.8 tp -66.9 -39.25 87.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.753 0.311 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.471 HG21 ' HG ' ' A' ' 184' ' ' LEU . 39.9 mt -66.99 -52.95 38.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.878 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -57.81 -40.48 80.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 -179.98 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -64.53 -54.85 25.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.828 179.985 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.438 HG23 ' CB ' ' A' ' 124' ' ' ASP . 0.3 OUTLIER -58.99 -31.34 45.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.102 179.993 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.669 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -66.97 -48.82 67.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.981 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.0 t90 -63.08 -40.85 98.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -49.56 74.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.534 ' HA ' HD21 ' A' ' 121' ' ' LEU . 37.9 mt -58.56 -44.14 88.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.079 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 38' ' ' LEU . 88.5 t -60.31 -47.22 93.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.845 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -66.76 -43.52 83.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.47 ' SD ' HD22 ' A' ' 121' ' ' LEU . 9.5 ttt -65.81 -32.04 73.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.468 ' HA ' HD23 ' A' ' 173' ' ' LEU . 6.0 ttt180 -72.13 -50.81 25.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -69.95 -28.98 66.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -53.87 -33.5 56.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.975 179.926 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.465 HD23 ' HE3' ' A' ' 114' ' ' LYS . 28.0 mt -56.42 -36.3 68.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.17 29.84 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 t30 61.79 38.77 14.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 53.75 42.74 68.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -100.75 114.72 28.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.1 m -55.68 -26.79 46.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 -179.836 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.56 -29.35 66.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.802 179.999 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.65 -26.28 37.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 -179.891 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.5 mmm -74.07 -31.08 62.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -118.74 27.82 8.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.945 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -81.82 -65.85 0.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.671 ' OD1' HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -107.09 40.09 1.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.837 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -95.92 26.24 4.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.04 -43.89 1.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.671 HD21 ' OD1' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -91.65 -34.02 14.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.975 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.83 -31.91 29.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.152 179.743 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -55.95 -34.05 65.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -106.01 25.51 10.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -151.12 24.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.743 HD22 HD12 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -103.34 -55.84 2.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 179.944 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.65 21.59 8.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.817 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.743 HD12 HD22 ' A' ' 67' ' ' LEU . 20.3 mt -84.1 159.37 59.85 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.756 2.304 . . . . 0.0 112.348 179.848 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.9 mttt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.807 0.337 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.0 mt 71.16 -68.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.872 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.69 -50.04 55.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.9 t -54.91 -52.7 62.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.06 -50.56 66.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 -179.949 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.4 mp -52.37 -45.98 65.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -49.24 77.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -56.11 -56.34 21.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.472 ' HB3' HD22 ' A' ' 176' ' ' LEU . 27.2 m-85 -54.05 -44.91 71.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.847 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -55.02 -50.25 69.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.7 m -62.04 -34.39 76.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.761 ' HB3' HD12 ' A' ' 172' ' ' ILE . 22.2 m-85 -63.98 -64.41 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.1 pp -53.12 -39.83 63.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.572 ' N ' HD12 ' A' ' 103' ' ' LEU . 3.2 tm-20 -66.39 -36.63 83.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 179.982 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.69 ' CE2' HD22 ' A' ' 153' ' ' LEU . 27.6 t80 -65.48 -52.09 55.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.813 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.427 ' HE1' HD11 ' A' ' 110' ' ' LEU . 3.5 ppp? -69.81 -27.26 64.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.856 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -66.73 -32.42 73.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -59.66 -28.69 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -136.73 96.91 3.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.667 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.5 mt -148.53 169.67 19.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -63.76 -176.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.823 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -63.66 -51.36 65.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 179.941 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -72.73 -47.19 49.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.667 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.4 mmtm -55.69 -34.83 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -67.52 -46.16 73.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -59.85 -45.26 92.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.856 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -72.35 -34.38 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 179.916 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.9 -35.63 80.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.778 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -64.9 -50.64 65.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.9 p -64.96 -37.15 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.886 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.534 HD21 ' HA ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER -63.98 -47.58 79.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.871 179.976 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.522 ' HA ' HD13 ' A' ' 103' ' ' LEU . 1.8 tt0 -62.52 -50.51 71.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -54.25 -53.21 56.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.438 ' CB ' HG23 ' A' ' 37' ' ' VAL . 56.1 m-20 -57.74 -41.43 81.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.612 HG22 HD12 ' A' ' 129' ' ' ILE . 89.2 m -60.06 -43.77 95.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 -179.902 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -67.87 -33.29 74.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.407 HG22 HD11 ' A' ' 131' ' ' ILE . 28.0 m -67.86 -56.74 7.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 -179.931 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.582 ' N ' HD21 ' A' ' 33' ' ' LEU . 3.0 pp -61.32 -39.58 91.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.612 HD12 HG22 ' A' ' 125' ' ' THR . 45.5 mt -67.13 -37.79 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -67.66 -40.46 84.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.611 HG21 ' CG1' ' A' ' 30' ' ' VAL . 8.0 mt -66.05 -52.39 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -62.6 -50.03 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.43 -39.93 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -63.09 -50.83 69.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -56.32 -52.18 65.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.4 p -65.69 -28.77 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 180.0 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -69.09 -39.63 78.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.97 -38.79 57.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.809 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 12.7 m . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.915 0.388 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . 0.431 ' O ' HG23 ' A' ' 154' ' ' THR . 0.8 OUTLIER -51.93 -50.86 60.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.988 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.14 90.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.061 179.91 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.91 -64.98 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.69 HD22 ' CE2' ' A' ' 105' ' ' TYR . 8.5 mt -52.74 -52.79 54.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 150' ' ' ASN . 67.5 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.169 179.987 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.754 0.312 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.97 -26.85 33.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.68 -26.64 5.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 -179.932 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -69.56 -68.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 179.924 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.0 m -48.37 -45.83 36.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 -179.988 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.2 mm -61.96 -48.28 89.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -62.24 -29.37 70.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.05 -55.27 8.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.761 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.5 pt -59.4 -36.79 66.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.072 -179.966 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 45' ' ' ARG . 1.1 tp -67.35 -53.41 29.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp -54.76 -46.57 74.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.437 ' OG ' HD13 ' A' ' 69' ' ' LEU . 6.3 p -61.34 -50.66 72.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.991 0.424 . . . . 0.0 110.9 -179.882 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.472 HD22 ' HB3' ' A' ' 99' ' ' TYR . 10.1 tp -52.49 -50.65 62.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.943 179.935 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . 0.616 ' CD ' HG22 ' A' ' 42' ' ' VAL . 8.8 tt0 -57.47 -56.84 16.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.39 -29.86 62.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.428 ' HA ' HG12 ' A' ' 182' ' ' VAL . 8.2 t80 -74.88 -35.35 62.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.874 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 177' ' ' GLU . 5.4 mt -70.44 -46.87 63.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -46.43 76.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.957 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . 0.428 HG12 ' HA ' ' A' ' 179' ' ' PHE . 9.2 p -64.36 -33.99 66.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.136 179.829 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 17.3 m -72.36 -40.99 66.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.478 ' C ' HD13 ' A' ' 184' ' ' LEU . 2.5 tm? -66.98 -40.7 87.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.69 -32.66 60.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.839 179.928 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 28.0 t -67.7 -51.17 52.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.74 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.3 t -55.7 -25.18 38.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.073 -179.972 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 -179.958 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.56 ' HB ' HG22 ' A' ' 26' ' ' THR . 21.7 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.812 0.339 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 63.46 21.57 12.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.56 HG22 ' HB ' ' A' ' 24' ' ' VAL . 10.0 t -98.21 166.01 11.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.207 179.972 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.25 -34.02 30.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -67.73 -42.26 82.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.808 -179.839 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -50.99 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.0 m -61.87 -39.84 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.02 -52.94 46.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 179.978 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.32 -36.34 93.28 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.515 -179.936 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.678 HD22 ' HB2' ' A' ' 128' ' ' LEU . 10.0 tt -69.54 -36.38 76.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.527 ' O ' HD13 ' A' ' 38' ' ' LEU . 48.7 mt -67.05 -46.58 84.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.852 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.7 t -67.12 -39.18 86.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 179.971 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -63.54 -55.64 22.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 33' ' ' LEU . 10.9 p -60.73 -36.16 69.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.589 HD11 ' CB ' ' A' ' 180' ' ' LEU . 1.7 mp -60.56 -49.09 78.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -64.1 -42.9 96.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 179.841 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.664 ' HB3' HD11 ' A' ' 121' ' ' LEU . 1.3 tm-20 -60.32 -42.83 96.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.462 HD11 HG22 ' A' ' 37' ' ' VAL . 57.6 mt -63.41 -46.84 94.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 38' ' ' LEU . 90.4 t -58.8 -43.18 87.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.172 179.836 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.48 -42.54 67.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.794 -179.964 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.9 ttt -65.74 -31.71 72.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.817 -179.967 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.718 ' HB2' HD23 ' A' ' 173' ' ' LEU . 0.8 OUTLIER -75.67 -51.18 13.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.857 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -28.77 67.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -55.76 -35.39 66.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.921 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.3 mt -54.88 -30.14 57.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.36 32.82 2.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.908 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 57.8 30.13 18.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.5 45.94 95.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.417 179.915 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -90.08 109.16 20.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 m -52.64 -41.16 63.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.803 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.9 -37.93 89.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.4 t -59.04 -26.24 64.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 -179.929 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 40.6 mtp -66.78 -51.77 51.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -97.07 25.95 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -84.17 -52.87 5.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.491 ' OD1' HD21 ' A' ' 62' ' ' LEU . 1.1 t70 -102.83 31.29 4.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.86 25.95 4.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.46 -35.87 3.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 179.911 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.491 HD21 ' OD1' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -102.66 -26.89 13.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.955 179.97 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.5 -32.67 58.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.829 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -55.3 -26.58 41.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.05 25.91 10.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.812 -179.892 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -139.81 25.82 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.2 mt -104.31 -66.83 0.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 58.67 21.93 9.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.872 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 mp -83.97 160.85 57.09 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.528 0.68 . . . . 0.0 110.945 179.889 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.201 0 C-N-CA 122.621 2.214 . . . . 0.0 112.338 179.858 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.761 0.315 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.0 mt 71.08 -69.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.0 p -53.04 -50.28 64.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.813 -179.937 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 m -58.7 -52.43 65.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.35 -44.32 95.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.946 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.6 mp -59.62 -45.12 92.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.348 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -49.09 78.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -56.8 -55.28 36.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -54.0 -46.15 71.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.955 -179.829 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -55.48 -49.24 73.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.5 m -62.24 -35.44 78.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 -179.863 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.681 ' HB3' HD12 ' A' ' 172' ' ' ILE . 11.6 m-85 -63.59 -63.47 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.906 -179.854 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.6 pp -55.67 -37.19 67.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.515 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.0 OUTLIER -65.89 -38.97 90.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.918 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.769 ' CE1' HG22 ' A' ' 154' ' ' THR . 5.7 t80 -67.12 -52.09 45.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.836 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.567 ' CE ' HD11 ' A' ' 110' ' ' LEU . 4.5 ppp? -67.21 -28.21 67.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.08 -33.74 71.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -62.96 -35.27 79.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.881 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -121.35 93.96 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.931 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.687 HD22 ' HB3' ' A' ' 114' ' ' LYS . 8.4 mt -149.14 170.24 18.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -68.85 -176.32 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.941 179.853 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.95 -51.19 67.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.801 179.915 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -76.02 -43.14 45.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.876 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.687 ' HB3' HD22 ' A' ' 110' ' ' LEU . 21.9 mmtm -55.8 -39.55 71.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 179.842 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -68.3 -46.8 69.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.013 179.747 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.17 -47.55 75.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 179.834 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -38.59 65.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.95 -47.0 75.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.794 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -55.48 -50.2 70.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.44 -40.45 81.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.201 179.951 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.664 HD11 ' HB3' ' A' ' 40' ' ' GLU . 0.5 OUTLIER -60.05 -48.61 81.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.96 179.905 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.1 -36.27 83.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.974 179.887 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -62.45 -54.38 40.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.13 -38.6 86.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.849 179.914 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.492 HG22 HD12 ' A' ' 129' ' ' ILE . 44.5 m -61.18 -49.7 76.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.249 -179.94 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -59.6 -46.92 87.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.507 HG22 HD11 ' A' ' 131' ' ' ILE . 88.4 m -58.08 -55.51 34.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.892 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.779 ' HA ' HD12 ' A' ' 131' ' ' ILE . 0.1 OUTLIER -57.97 -52.24 66.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.961 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.632 ' N ' HD23 ' A' ' 128' ' ' LEU . 61.8 mt -54.15 -35.2 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.161 179.807 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -71.25 -39.15 71.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.874 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.779 HD12 ' HA ' ' A' ' 128' ' ' LEU . 9.4 mt -63.73 -52.35 58.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -64.83 -50.09 68.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -56.65 -40.68 75.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -65.46 -50.54 64.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.447 ' O ' HD13 ' A' ' 139' ' ' LEU . 12.4 tt0 -54.67 -52.12 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.08 -30.63 50.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.078 -179.965 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -63.67 -45.16 91.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -79.23 -30.47 43.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.842 179.836 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 135' ' ' GLU . 1.8 mp . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.911 0.386 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -51.74 -49.8 61.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -52.21 -52.88 49.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.854 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.7 mp -54.81 -49.98 69.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.583 HD23 ' CE2' ' A' ' 105' ' ' TYR . 0.4 OUTLIER -52.84 -63.05 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.891 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.769 HG22 ' CE1' ' A' ' 105' ' ' TYR . 43.1 p . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.896 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.825 0.345 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -25.9 59.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.75 -26.38 5.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -179.895 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.67 -69.03 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.852 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.4 m -48.46 -45.92 37.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 37.8 mm -61.47 -50.94 78.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -61.81 -28.11 69.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -70.65 -55.34 8.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.681 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.3 pt -61.27 -36.4 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.068 -179.967 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.718 HD23 ' HB2' ' A' ' 45' ' ' ARG . 0.9 OUTLIER -67.29 -52.46 40.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.917 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -56.01 -50.26 71.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.839 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.35 -43.4 96.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 -179.82 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.5 tp -55.88 -57.78 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.43 -55.77 25.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -52.95 -45.48 67.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.857 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -56.49 -47.21 79.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.589 ' CB ' HD11 ' A' ' 38' ' ' LEU . 73.2 mt -61.53 -38.57 87.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -61.65 -60.18 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.831 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 6.6 p -56.5 -38.48 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.898 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 78.9 m -59.61 -51.0 71.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 -179.932 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.476 HD22 HD13 ' A' ' 34' ' ' ILE . 6.6 tp -63.97 -36.53 84.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -68.44 -32.18 72.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 11.5 t -74.43 -52.08 13.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 6.1 t -55.65 -28.6 56.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.964 179.951 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.5 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.87 0.367 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 61.08 23.04 13.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 -179.901 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -103.84 170.82 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.96 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.64 -36.06 44.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.097 -179.983 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 m -68.46 -43.13 77.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -50.66 70.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.1 m -61.53 -40.65 87.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.669 ' O ' HG23 ' A' ' 35' ' ' THR . . . -61.24 -53.08 47.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.999 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.87 -39.14 97.64 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.498 -179.919 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.629 HD22 HD23 ' A' ' 128' ' ' LEU . 7.8 tt -64.94 -44.72 88.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 110.943 -179.92 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.508 ' CD1' HD23 ' A' ' 184' ' ' LEU . 62.7 mt -61.26 -42.74 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.669 HG23 ' O ' ' A' ' 31' ' ' GLY . 46.4 p -63.97 -46.43 84.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -58.6 -55.48 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.712 HG22 ' CD1' ' A' ' 41' ' ' ILE . 14.7 p -59.88 -35.02 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 -179.967 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 34' ' ' ILE . 1.3 mp -60.28 -48.97 79.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -65.19 -42.6 93.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.875 179.891 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.27 -40.71 98.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.712 ' CD1' HG22 ' A' ' 37' ' ' VAL . 36.9 mt -64.06 -46.83 92.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.958 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.449 HG12 ' HD3' ' A' ' 46' ' ' LYS . 83.1 t -60.49 -45.98 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 179.828 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -42.19 79.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.8 ttt -66.64 -31.81 72.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 179.909 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -74.71 -50.49 17.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.826 -179.854 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.449 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -69.57 -28.8 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.959 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.99 -35.27 61.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 -179.952 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.513 HD12 ' HE3' ' A' ' 114' ' ' LYS . 9.8 mp -58.6 -31.23 67.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.6 m -95.98 32.28 1.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t30 58.27 26.63 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.985 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.7 37.86 85.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 179.901 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -90.73 109.59 20.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.82 -179.819 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.0 t -56.76 -28.15 60.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -68.52 -33.21 73.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.826 -179.99 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.81 -27.05 69.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.907 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.8 mtp -64.34 -49.19 72.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -110.38 32.13 5.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.824 -179.989 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -71.56 -52.23 19.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.632 ' OD2' HD11 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -121.31 26.33 8.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.845 179.984 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -74.06 -26.55 60.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 179.999 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.95 -26.31 35.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.632 HD11 ' OD2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -117.87 -38.77 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.957 -179.976 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.95 -28.45 67.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.094 179.739 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.68 -29.79 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -123.28 31.94 5.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -135.34 26.24 3.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.08 133.09 48.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -26.19 23.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 179.76 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.525 HD23 ' HE1' ' A' ' 99' ' ' TYR . 8.9 mp -64.02 160.69 45.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.634 0.73 . . . . 0.0 110.973 179.841 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.399 179.83 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.466 HG23 ' CE2' ' A' ' 179' ' ' PHE . 65.9 mt -119.3 -35.4 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.156 179.909 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -50.11 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.9 p -54.15 -52.04 62.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.72 -50.91 62.36 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.574 179.953 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.32 -54.0 46.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -49.14 71.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -54.11 -49.88 68.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.525 ' HE1' HD23 ' A' ' 69' ' ' LEU . 22.9 m-85 -56.55 -49.12 75.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.795 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -54.18 -49.25 69.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.3 m -61.86 -36.67 81.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.761 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.788 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.9 m-85 -62.85 -64.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 -179.915 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.555 HD13 ' HA ' ' A' ' 122' ' ' GLN . 2.4 pp -54.01 -38.23 64.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.515 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.2 mt-10 -68.17 -33.74 75.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.727 ' CE1' HG22 ' A' ' 154' ' ' THR . 12.7 t80 -69.21 -52.09 31.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.959 -179.897 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.461 ' HE1' HD11 ' A' ' 110' ' ' LEU . 3.6 ppp? -67.93 -31.54 71.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.889 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.97 -28.42 69.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.824 179.99 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -60.2 -40.13 89.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.946 179.924 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -129.18 99.16 5.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.684 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.2 mt -145.42 177.91 8.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -78.28 -175.84 4.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.855 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -51.5 67.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.809 179.949 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -71.72 -48.61 45.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.862 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.684 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.7 mmtm -55.49 -32.88 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.916 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -67.18 -50.51 60.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.881 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -57.84 -43.15 85.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.5 mmpp? -70.4 -36.58 74.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.951 179.885 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.92 82.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -49.77 75.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 4.5 p -69.72 -31.61 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 -179.991 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -52.55 35.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.555 ' HA ' HD13 ' A' ' 103' ' ' LEU . 1.1 pp0? -66.18 -33.78 76.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.2 mtp85 -66.6 -53.09 38.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.619 ' O ' HD21 ' A' ' 33' ' ' LEU . 27.0 m-20 -58.16 -54.54 45.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.89 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.1 m -56.72 -44.69 81.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 -179.905 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -53.94 -53.64 50.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.949 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.565 HG22 HD11 ' A' ' 131' ' ' ILE . 98.5 m -60.91 -36.4 79.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 -179.964 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.629 HD23 HD22 ' A' ' 33' ' ' LEU . 1.1 tm? -64.29 -51.99 60.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 30.4 mt -59.54 -37.21 69.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -65.42 -45.49 83.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.88 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.565 HD11 HG22 ' A' ' 127' ' ' THR . 19.0 mt -62.55 -53.07 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.943 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -58.62 -49.98 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -57.7 -41.56 81.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -66.3 -36.73 83.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 179.957 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.58 -52.05 43.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.97 -35.71 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.08 -179.982 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -68.94 -40.26 79.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -78.34 -26.01 46.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 179.944 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.955 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -51.37 -47.02 62.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.721 -179.908 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.69 -55.1 36.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 179.935 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.7 mp -51.76 -51.36 56.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.613 HD11 HG21 ' A' ' 168' ' ' THR . 3.9 mm? -53.57 -64.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 179.903 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.727 HG22 ' CE1' ' A' ' 105' ' ' TYR . 73.2 p . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.796 0.331 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . 0.437 ' O ' HD13 ' A' ' 169' ' ' ILE . 10.7 mtp180 -71.76 -26.72 62.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 1.8 m -50.61 -27.6 7.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.187 -179.895 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -69.61 -69.39 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . 0.613 HG21 HD11 ' A' ' 153' ' ' LEU . 97.3 m -49.25 -34.25 14.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.889 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.499 HG21 HD21 ' A' ' 48' ' ' LEU . 1.6 mp -68.09 -52.37 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . 0.408 ' N ' HG22 ' A' ' 169' ' ' ILE . 4.2 pt20 -65.0 -25.23 67.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -54.11 9.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.788 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.6 pt -63.65 -36.52 76.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.433 HD12 HG23 ' A' ' 41' ' ' ILE . 3.1 mm? -67.8 -53.79 24.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 179.866 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -56.64 -46.15 81.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.942 179.82 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 35.8 m -61.75 -46.74 88.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.5 tp -55.17 -54.6 41.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -55.77 -55.59 30.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -52.83 -46.54 67.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.466 ' CE2' HG23 ' A' ' 92' ' ' ILE . 37.8 t80 -61.8 -40.75 96.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.891 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.448 ' HB3' HD11 ' A' ' 38' ' ' LEU . 24.6 mt -62.45 -38.32 89.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 12.5 mtpp -68.96 -57.38 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.863 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 27.4 m -54.73 -36.11 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.846 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . 0.578 ' O ' HG22 ' A' ' 187' ' ' THR . 93.0 m -69.41 -56.94 6.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 -179.92 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.508 HD23 ' CD1' ' A' ' 34' ' ' ILE . 2.7 tm? -52.37 -37.11 55.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.952 179.973 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -76.5 -53.94 7.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.877 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 9.6 t -52.78 -52.06 58.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 183' ' ' THR . 14.6 t -62.25 -24.82 67.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 -179.928 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 25.8 mtp85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.81 -179.903 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.2 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.821 0.344 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 63.49 42.72 6.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.912 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.0 p -101.23 164.75 11.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.195 -179.968 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.2 p -51.79 -46.42 64.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -51.49 56.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 -179.777 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -40.62 92.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.94 -54.11 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 179.949 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.2 -52.24 50.74 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.494 179.922 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.77 -40.39 94.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.509 -179.894 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.728 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.0 OUTLIER -66.72 -37.36 84.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.793 0.33 . . . . 0.0 110.932 -179.938 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.671 HG21 ' CD2' ' A' ' 184' ' ' LEU . 15.0 mm -63.99 -52.28 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.167 179.878 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.8 t -62.21 -39.65 93.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -66.4 -55.6 15.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.434 HG22 HD11 ' A' ' 41' ' ' ILE . 8.7 p -60.77 -32.42 51.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.997 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.618 ' O ' HG23 ' A' ' 42' ' ' VAL . 15.2 mt -66.81 -48.42 69.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -62.88 -42.3 99.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 179.852 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -60.96 -50.55 72.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.515 HG23 HD12 ' A' ' 173' ' ' LEU . 47.7 mt -57.32 -48.64 82.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.097 -179.975 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.629 HG12 ' HE3' ' A' ' 46' ' ' LYS . 95.8 t -55.07 -58.64 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.055 179.913 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -53.28 -40.07 64.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.458 ' O ' HD13 ' A' ' 48' ' ' LEU . 2.7 ttp -67.19 -32.19 73.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.1 ttp85 -71.01 -51.21 26.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.876 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.629 ' HE3' HG12 ' A' ' 42' ' ' VAL . 5.9 ptpt -71.01 -28.71 64.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.99 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -54.94 -40.94 70.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.916 HD23 HG22 ' A' ' 166' ' ' THR . 8.7 mp -53.85 -28.44 35.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.987 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 91.8 m -98.94 34.94 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.15 27.66 16.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.99 37.1 73.64 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -95.84 104.54 16.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.83 0.348 . . . . 0.0 110.955 -179.933 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 p -56.4 -26.77 54.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.853 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -65.31 -33.75 76.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 -179.969 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.89 -28.94 66.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.3 mmm -72.92 -31.48 64.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -110.48 26.39 10.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -102.31 -50.94 3.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -104.52 30.21 5.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 179.903 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.02 28.03 3.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.38 -32.41 4.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.82 -26.03 10.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.01 -30.34 64.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.783 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -55.91 -25.84 44.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -111.1 26.97 10.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -136.5 25.36 3.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.95 179.931 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.673 HD11 ' HE2' ' A' ' 174' ' ' LYS . 2.0 mt -120.95 -71.45 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.0 179.888 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 58.23 23.43 10.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.797 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.71 160.39 66.92 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.67 0.748 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.262 . . . . 0.0 112.363 179.83 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.5 mptt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.778 0.323 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.2 mt 71.05 -68.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 63.5 p -50.34 -39.25 45.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.962 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.7 m -53.88 -52.47 60.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.83 -44.73 95.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -180.0 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.498 HD22 HG12 ' A' ' 129' ' ' ILE . 55.4 mt -51.83 -54.18 31.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -49.41 77.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -52.99 -51.54 61.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.418 ' CD2' HD13 ' A' ' 176' ' ' LEU . 22.2 m-85 -60.21 -43.15 96.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.823 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -53.78 -50.38 66.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.796 179.959 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.6 p -66.14 -38.83 89.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.749 -179.683 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.476 ' HB3' HD12 ' A' ' 172' ' ' ILE . 9.2 m-85 -57.41 -64.01 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.831 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.2 pp -55.77 -45.44 78.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.518 ' N ' HD12 ' A' ' 103' ' ' LEU . 3.0 mm-40 -56.53 -33.58 66.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.624 ' CE2' HD23 ' A' ' 153' ' ' LEU . 2.3 t80 -72.89 -52.32 15.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.915 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.4 ptm -62.92 -29.43 70.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.746 ' HZ2' ' HB1' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -50.42 -52.75 34.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 179.885 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.47 -19.31 46.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -124.86 78.99 1.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.794 HD22 ' HB3' ' A' ' 114' ' ' LYS . 11.2 mt -149.82 163.21 38.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -77.34 -177.06 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 179.905 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -51.2 69.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.779 179.974 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -69.59 -48.75 59.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.794 ' HB3' HD22 ' A' ' 110' ' ' LEU . 10.0 mmtm -55.92 -42.99 76.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -58.62 -48.08 82.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.845 179.881 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -50.27 73.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.924 179.824 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -63.5 -43.86 96.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.746 ' HB1' ' HZ2' ' A' ' 107' ' ' LYS . . . -54.88 -44.49 74.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 179.856 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -52.99 -49.46 66.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.56 -40.78 89.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.989 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.513 HD11 ' N ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER -62.75 -50.08 72.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.994 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.484 ' HB2' HD13 ' A' ' 103' ' ' LEU . 2.3 tm0? -57.87 -51.15 70.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.975 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -53.54 -53.61 49.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -57.32 -44.41 84.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.403 ' HA ' HD23 ' A' ' 128' ' ' LEU . 24.6 m -61.41 -45.92 92.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.885 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -60.79 -35.89 77.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.952 179.963 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.438 ' O ' HD12 ' A' ' 131' ' ' ILE . 61.4 m -67.81 -56.73 8.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.178 -179.941 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.728 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -58.21 -34.17 70.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 179.989 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.498 HG12 HD22 ' A' ' 96' ' ' LEU . 50.2 mt -71.57 -41.32 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.17 179.928 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -62.17 -44.27 96.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.801 179.838 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 127' ' ' THR . 5.8 mt -67.27 -53.47 32.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.177 179.986 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.576 ' O ' HG23 ' A' ' 136' ' ' VAL . 5.1 m-85 -59.2 -50.1 75.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -60.84 -38.1 84.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -59.7 -55.16 37.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -62.1 -52.19 64.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 132' ' ' PHE . 86.3 t -55.35 -44.12 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 -179.989 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -63.27 -40.96 98.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 179.867 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -67.41 -28.68 68.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.797 179.891 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.947 0.403 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -52.83 -45.01 67.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.44 -48.67 76.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.098 179.843 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.82 -47.86 81.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.624 HD23 ' CE2' ' A' ' 105' ' ' TYR . 1.2 mp -56.87 -63.36 1.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.858 0.361 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -51.73 -40.58 60.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 -179.976 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . 0.916 HG22 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -53.78 -26.53 24.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 -179.977 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -69.46 -69.58 0.33 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 179.882 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 89.3 m -49.03 -44.37 41.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 -179.987 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.53 -45.59 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -63.45 -31.23 72.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -70.81 -55.49 8.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.903 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 172' ' ' ILE . . . . . 0.476 HD12 ' HB3' ' A' ' 102' ' ' TYR . 13.4 pt -58.68 -39.1 75.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 173' ' ' LEU . . . . . 0.515 HD12 HG23 ' A' ' 41' ' ' ILE . 3.5 mm? -66.87 -48.9 67.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.926 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 174' ' ' LYS . . . . . 0.673 ' HE2' HD11 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -56.36 -47.39 78.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 179.846 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.73 -43.36 99.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.418 HD13 ' CD2' ' A' ' 99' ' ' TYR . 23.6 tp -56.07 -50.02 72.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 177' ' ' GLU . . . . . 0.482 ' CD ' HG22 ' A' ' 42' ' ' VAL . 1.6 tt0 -61.09 -56.84 16.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.966 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -47.51 67.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -55.98 -49.48 73.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 3.0 mp -54.78 -52.46 62.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -52.74 -54.12 38.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.812 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 66.4 t -60.42 -39.02 79.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 92.7 m -58.14 -43.47 87.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.671 ' CD2' HG21 ' A' ' 34' ' ' ILE . 2.3 tp -69.29 -54.52 14.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.907 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -20.72 59.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.2 m -82.21 -47.95 11.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 184' ' ' LEU . 9.8 t -66.4 -26.69 67.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.15 -179.921 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.77 116.88 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 81.2 t -57.03 143.44 11.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.041 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.69 145.13 49.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -65.51 171.46 4.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.89 -36.8 1.63 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.468 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 t0 56.65 -179.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.82 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -52.85 153.96 3.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.0 t -133.91 6.92 3.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.079 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -132.86 144.92 50.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -175.76 33.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 p 53.06 -174.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.403 HG22 ' CD2' ' A' ' 36' ' ' HIS . 0.8 OUTLIER -109.6 159.64 30.8 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.529 0.681 . . . . 0.0 111.168 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -171.34 0.47 Allowed 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -121.5 -36.1 3.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.42 157.15 18.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.6 79.54 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.43 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -77.57 -16.86 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.058 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 63.64 25.11 14.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -105.64 167.13 9.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.71 -34.88 40.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.3 p -68.74 -45.38 71.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -60.72 -51.37 69.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 31' ' ' GLY . 19.1 m -61.17 -43.24 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.419 ' N ' HG23 ' A' ' 30' ' ' VAL . . . -57.89 -52.22 53.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.67 -37.67 95.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.391 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.614 HD21 ' O ' ' A' ' 124' ' ' ASP . 1.2 tt -67.34 -34.76 78.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 110.971 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.667 HG21 ' HG ' ' A' ' 184' ' ' LEU . 17.5 mm -69.6 -49.22 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 t -63.37 -39.54 94.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.403 ' CD2' HG22 ' A' ' 19' ' ' THR . 3.2 t60 -65.79 -55.65 16.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.479 HG22 HD11 ' A' ' 41' ' ' ILE . 9.2 p -60.22 -32.74 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.606 ' O ' HG23 ' A' ' 42' ' ' VAL . 12.3 mt -66.28 -48.96 68.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -62.06 -43.58 98.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.457 ' HB3' HD11 ' A' ' 121' ' ' LEU . 0.7 OUTLIER -60.92 -47.85 84.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.479 HD11 HG22 ' A' ' 37' ' ' VAL . 43.6 mt -57.98 -46.49 87.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 38' ' ' LEU . 88.6 t -57.94 -54.57 30.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.13 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -59.52 -44.7 93.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.5 ttt -63.76 -31.63 72.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -51.23 34.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.809 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.2 pttt -70.66 -28.21 64.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.77 -37.64 66.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.561 HD12 ' HE3' ' A' ' 114' ' ' LYS . 9.4 mp -53.98 -32.16 53.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.0 m -95.93 32.23 1.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 t30 60.66 26.19 15.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.71 42.89 97.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -95.12 113.89 25.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.6 p -55.61 -27.09 47.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.39 -40.95 89.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.84 -38.8 92.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 65.3 mtp -58.98 -33.38 70.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -117.72 28.81 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -83.05 -62.17 1.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.56 28.84 5.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -96.36 31.91 2.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.78 -30.55 5.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.0 -38.8 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.05 -36.33 60.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.081 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -56.19 -26.25 50.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -124.45 38.91 4.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -155.71 32.28 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.7 141.69 28.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -79.94 -25.95 40.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mt -80.17 154.89 74.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.526 0.679 . . . . 0.0 110.949 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 156.32 63.84 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.343 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -147.49 139.36 24.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.542 ' HB ' HG11 ' A' ' 182' ' ' VAL . 69.4 mt -67.65 136.78 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -176.1 47.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.23 -64.81 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -168.72 176.52 5.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -108.83 31.05 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 174.14 159.22 20.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 55.8 m -82.09 -69.11 0.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 0.0 110.894 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -176.54 134.36 0.23 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.974 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -71.77 -36.76 70.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.83 165.55 22.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.75 -22.1 38.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.5 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 53.7 40.49 31.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.947 0.403 . . . . 0.0 110.939 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -91.06 140.05 30.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 55.3 64.73 1.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.52 178.63 0.54 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 65.6 mt 60.01 75.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.188 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 27.6 p -109.95 163.32 13.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 62.72 100.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.433 HD23 ' H ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -166.69 -171.77 1.95 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.995 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.433 ' H ' HD23 ' A' ' 90' ' ' LEU . 0.4 OUTLIER 54.51 49.84 17.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.793 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.3 mt -111.65 -31.07 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 41.6 m -59.97 -41.34 91.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.7 t -60.45 -51.96 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.41 -52.65 50.42 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.924 HD12 HD11 ' A' ' 129' ' ' ILE . 1.0 OUTLIER -63.26 -34.24 77.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.714 HD21 ' HD3' ' A' ' 147' ' ' PRO . 18.2 tp -65.03 -49.32 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.973 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -62.01 -52.16 65.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.662 ' HB3' HD13 ' A' ' 176' ' ' LEU . 21.0 m-85 -56.02 -44.6 78.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.448 ' HA ' HD21 ' A' ' 103' ' ' LEU . 37.9 t-80 -61.62 -41.93 98.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.7 -29.04 67.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.799 ' HB3' HD12 ' A' ' 172' ' ' ILE . 14.3 m-85 -72.37 -54.42 9.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.2 pp -61.91 -43.41 98.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.548 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.5 pp20? -67.44 -32.9 74.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.646 ' CE1' HG22 ' A' ' 154' ' ' THR . 12.1 t80 -66.87 -51.27 57.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.414 ' SD ' HG23 ' A' ' 169' ' ' ILE . 4.2 ptt? -73.25 -26.03 60.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.818 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.63 ' HA ' HD12 ' A' ' 110' ' ' LEU . 4.0 tmtt? -55.91 -41.29 74.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -59.7 -37.65 79.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -109.7 74.24 0.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.653 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.7 mt -142.02 177.97 7.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.961 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -78.17 -175.94 4.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.24 -51.28 66.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -69.37 -48.49 61.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.653 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.9 mmtm -55.87 -39.41 71.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.795 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -69.08 -45.2 70.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.45 -49.91 71.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -38.6 71.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.74 -44.74 73.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.183 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.49 -49.85 71.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.61 -41.13 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.457 HD11 ' HB3' ' A' ' 40' ' ' GLU . 2.8 mp -58.62 -50.07 75.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.06 -47.76 84.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -53.85 -53.28 54.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.614 ' O ' HD21 ' A' ' 33' ' ' LEU . 6.9 m-20 -56.35 -49.39 74.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.619 HG22 ' CD1' ' A' ' 129' ' ' ILE . 5.8 m -54.06 -50.42 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.14 -33.65 73.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.461 ' O ' HD12 ' A' ' 131' ' ' ILE . 15.2 m -64.73 -56.4 13.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -32.2 72.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.924 HD11 HD12 ' A' ' 96' ' ' LEU . 63.4 mt -71.39 -36.96 63.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -44.54 68.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.871 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.461 HD12 ' O ' ' A' ' 127' ' ' THR . 6.5 mt -66.65 -47.49 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -62.82 -50.03 72.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -59.94 -40.86 90.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -63.0 -47.53 82.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.25 -52.28 66.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.9 p -65.67 -29.13 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.07 -41.39 77.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.987 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -74.25 -40.0 62.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 37.4 tp -71.74 -58.06 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -126.62 -169.86 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.25 177.45 5.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.9 tp -175.94 146.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.05 150.14 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.27 138.66 11.96 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.58 0.705 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -86.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.628 2.219 . . . . 0.0 112.309 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 178.3 147.53 0.36 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.552 0.691 . . . . 0.0 111.133 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.714 ' HD3' HD21 ' A' ' 97' ' ' LEU . 54.8 Cg_endo -69.76 130.79 19.96 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.725 2.283 . . . . 0.0 112.388 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 12.4 tt -116.47 -22.48 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.127 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.95 -37.39 52.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -51.18 -47.21 62.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.68 -54.73 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.166 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.0 mp -51.71 -51.44 56.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.59 -64.95 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.646 HG22 ' CE1' ' A' ' 105' ' ' TYR . 61.5 p -52.12 -32.86 37.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.37 -31.28 43.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.13 -177.97 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 6.0 tp -170.49 78.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 62.92 86.7 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.794 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.06 154.47 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.24 -71.37 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -137.93 51.04 1.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.67 179.04 5.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -105.95 33.02 3.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 7.5 mp -99.48 -25.65 14.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.998 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -29.12 70.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -26.61 5.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -69.48 -68.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.7 m -48.59 -45.19 37.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.414 HG23 ' SD ' ' A' ' 106' ' ' MET . 38.6 mm -62.67 -46.49 96.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -62.44 -32.15 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -55.06 10.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.799 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.5 pt -60.45 -36.0 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.37 -52.06 44.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -56.6 -47.07 80.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 14.6 p -61.73 -46.58 89.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.662 HD13 ' HB3' ' A' ' 99' ' ' TYR . 5.6 tp -54.75 -57.95 9.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.407 ' OE2' HD22 ' A' ' 38' ' ' LEU . 2.5 tm-20 -54.7 -52.81 61.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.578 ' O ' HG23 ' A' ' 182' ' ' VAL . 59.5 mm-40 -53.39 -50.17 65.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.48 -32.85 71.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.602 ' HB3' HD21 ' A' ' 38' ' ' LEU . 6.0 mt -66.24 -61.38 2.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.23 -46.18 69.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 178' ' ' GLU . 91.2 t -59.18 -52.77 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 82.6 m -53.43 -44.01 68.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.192 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.667 ' HG ' HG21 ' A' ' 34' ' ' ILE . 3.3 tm? -61.2 -52.16 65.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -58.69 -37.01 75.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 3.1 t -64.7 -51.44 62.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 11.7 t -68.66 -24.92 64.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.116 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -83.49 -25.86 30.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.27 16.64 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.018 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.16 -179.885 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.812 0.339 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -118.46 67.54 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.3 p -113.32 145.97 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.53 89.58 2.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.818 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -131.46 179.4 6.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.36 -19.83 4.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.504 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -56.84 131.89 50.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.367 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -125.44 175.44 7.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.8 t -122.43 -36.02 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 57.49 -178.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.1 t0 63.34 27.62 15.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.799 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.3 p -144.43 128.35 17.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.244 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.25 159.62 30.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 0.0 111.104 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.79 177.8 5.23 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.746 2.297 . . . . 0.0 112.341 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -131.41 54.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 61.82 160.89 0.11 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.654 0.74 . . . . 0.0 110.785 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 102.9 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.414 ' HB ' HG22 ' A' ' 26' ' ' THR . 41.2 t -93.93 -22.2 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 62.28 23.79 14.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.98 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 30' ' ' VAL . 15.1 t -107.2 171.57 7.31 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.179 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.8 p -51.57 -43.8 62.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.156 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.9 -51.53 69.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.842 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.527 HE21 HD13 ' A' ' 33' ' ' LEU . 13.2 tm0? -61.48 -39.8 92.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 26' ' ' THR . 82.3 t -63.22 -54.14 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.696 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.1 -52.09 51.5 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.79 -37.25 93.99 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.527 HD13 HE21 ' A' ' 29' ' ' GLN . 0.6 OUTLIER -66.38 -46.9 75.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.736 0.303 . . . . 0.0 110.912 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.716 HG23 HD22 ' A' ' 180' ' ' LEU . 96.2 mt -61.27 -41.04 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 31' ' ' GLY . 69.0 p -64.51 -47.56 78.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.232 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -61.19 -55.15 35.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.568 HG22 HD11 ' A' ' 41' ' ' ILE . 8.3 p -59.25 -33.89 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.062 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.574 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.4 mt -63.89 -48.7 75.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -63.31 -42.18 98.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -45.18 95.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.568 HD11 HG22 ' A' ' 37' ' ' VAL . 29.1 mt -61.78 -46.99 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 38' ' ' LEU . 89.6 t -58.26 -44.83 88.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.68 -42.1 82.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -32.1 73.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -73.91 -50.34 20.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.442 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -69.82 -28.93 66.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -53.96 -33.81 57.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.41 -28.64 69.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.66 28.96 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.42 31.83 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.783 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 59.96 40.21 96.63 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.526 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -87.69 111.81 21.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 77.2 p -61.11 -27.22 68.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.983 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.53 -27.53 58.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 10.3 t -64.46 -34.66 78.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.5 mtp -56.95 -48.05 79.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -102.17 28.23 6.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -79.54 -56.32 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -114.22 26.97 9.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.941 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -96.35 30.35 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.76 -27.58 8.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.45 -36.38 2.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.63 -40.46 79.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -53.12 -29.68 32.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -112.17 33.39 4.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -154.96 29.98 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.82 134.01 34.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -25.77 65.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.91 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.424 HD22 ' OE1' ' A' ' 98' ' ' GLU . 1.7 mt -79.93 154.89 75.47 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.608 0.718 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 158.25 57.73 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.445 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -147.68 141.41 25.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.676 HD12 HG13 ' A' ' 182' ' ' VAL . 45.1 mt -64.15 125.8 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.193 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.3 -26.73 14.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 57.36 85.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -85.25 -26.25 26.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.8 t0 56.23 67.74 0.96 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.856 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -178.66 53.55 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.5 m -85.84 -42.11 14.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.0 110.838 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -122.4 175.3 6.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.32 173.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 55.46 27.02 9.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 168.61 135.02 1.81 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.471 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -82.47 -39.32 22.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 0.0 110.905 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.78 -50.37 69.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -55.85 125.47 21.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -142.04 -52.45 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 40.4 pt -104.42 168.69 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.093 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 14.2 p -168.08 138.66 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.3 142.06 28.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.941 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.22 -27.38 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.0 mttt 55.46 63.93 1.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.3 mt -104.97 -27.13 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.162 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.9 p -65.62 -45.16 84.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 m -53.97 -52.37 60.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.73 -51.2 57.59 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.482 HD13 ' HE2' ' A' ' 179' ' ' PHE . 0.8 OUTLIER -55.08 -49.76 70.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.799 0.333 . . . . 0.0 110.892 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 97' ' ' LEU . 3.4 mm? -57.56 -49.17 77.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.424 ' OE1' HD22 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -54.2 -49.05 70.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.673 ' HB3' HD13 ' A' ' 176' ' ' LEU . 24.0 m-85 -57.89 -48.53 79.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -54.22 -48.16 71.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t -63.12 -37.5 87.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.829 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.819 ' HB3' HD12 ' A' ' 172' ' ' ILE . 11.0 m-85 -61.17 -63.13 1.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.514 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.1 pp -55.8 -39.36 71.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.514 ' N ' HD12 ' A' ' 103' ' ' LEU . 7.9 mt-10 -63.58 -37.27 86.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.742 ' CE2' HD22 ' A' ' 153' ' ' LEU . 33.9 t80 -69.18 -45.69 69.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.996 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.46 ' HG2' HD11 ' A' ' 110' ' ' LEU . 3.5 ttp -66.17 -34.65 78.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.902 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -62.63 -25.91 68.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.98 -38.59 83.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.951 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -131.62 99.36 4.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.605 HD22 ' CB ' ' A' ' 114' ' ' LYS . 8.1 mt -149.11 175.79 11.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.06 -176.37 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -61.97 -51.11 69.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -71.08 -48.28 53.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.605 ' CB ' HD22 ' A' ' 110' ' ' LEU . 15.2 mmtm -55.91 -35.74 66.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -68.42 -52.98 26.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -46.26 68.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -71.25 -40.0 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.88 -43.39 73.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.053 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -55.67 -49.69 72.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.54 -43.23 96.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -47.46 84.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.43 ' HA ' HD13 ' A' ' 103' ' ' LEU . 39.9 tt0 -60.91 -49.58 76.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -53.72 -53.26 54.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -55.53 -49.36 72.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.583 HG22 HD12 ' A' ' 129' ' ' ILE . 22.2 m -54.68 -45.94 74.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -66.63 -30.24 70.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.503 ' O ' HD12 ' A' ' 131' ' ' ILE . 9.4 m -70.46 -56.66 6.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.138 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.601 HD22 HD21 ' A' ' 180' ' ' LEU . 2.2 pp -60.78 -37.78 83.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.583 HD12 HG22 ' A' ' 125' ' ' THR . 76.3 mt -70.57 -39.26 75.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.1 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -42.85 96.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.503 HD12 ' O ' ' A' ' 127' ' ' THR . 7.0 mt -68.28 -49.78 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.181 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.567 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.6 m-85 -62.58 -48.98 77.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -62.1 -39.71 93.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -60.98 -54.14 48.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.84 -51.96 67.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 132' ' ' PHE . 94.1 t -58.89 -35.33 55.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -69.12 -39.55 78.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.0 -33.11 70.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.818 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 18.1 tp -79.83 -58.0 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.77 -169.92 2.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.854 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -95.72 -172.97 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.474 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.58 146.46 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 179.834 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.474 ' N ' HD13 ' A' ' 142' ' ' ILE . 4.8 m -128.09 102.25 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -175.89 87.18 0.29 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.617 0.722 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.514 ' O ' HG23 ' A' ' 146' ' ' THR . 53.6 Cg_endo -69.76 -43.18 2.81 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.233 . . . . 0.0 112.36 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -176.04 159.09 1.83 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-O 121.637 0.732 . . . . 0.0 111.08 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.488 ' HD2' HG22 ' A' ' 146' ' ' THR . 53.4 Cg_endo -69.71 179.28 3.78 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.729 2.286 . . . . 0.0 112.356 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.4 tt -117.89 -16.0 8.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 16.2 p -55.62 -25.69 40.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 154' ' ' THR . 4.2 t30 -51.26 -51.02 57.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.45 -36.59 80.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 51.7 mt -61.27 -64.73 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.742 HD22 ' CE2' ' A' ' 105' ' ' TYR . 4.3 mt -53.49 -50.68 64.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 150' ' ' ASN . 67.7 p -57.95 -34.21 69.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.06 -47.14 69.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 14.0 pttm 44.58 -163.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.845 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.7 179.25 7.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -91.98 110.55 21.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.9 170.86 20.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.791 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.79 141.63 1.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 7.2 tttt 52.85 29.89 8.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.5 99.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -154.1 152.45 30.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.958 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.6 mp -125.84 53.15 1.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -29.26 68.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.71 -26.64 2.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -69.48 -68.26 0.42 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.5 m -48.49 -36.47 15.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.185 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 34.0 mm -67.62 -52.59 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -25.6 68.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -55.14 7.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.819 HD12 ' HB3' ' A' ' 102' ' ' TYR . 16.8 pt -63.13 -36.71 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.216 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.65 -52.53 37.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -56.99 -46.22 82.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.34 -47.35 86.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.673 HD13 ' HB3' ' A' ' 99' ' ' TYR . 10.8 tp -54.56 -53.3 56.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.68 -54.8 41.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -52.76 -43.06 65.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.482 ' HE2' HD13 ' A' ' 96' ' ' LEU . 32.0 t80 -61.82 -51.07 69.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.716 HD22 HG23 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -56.67 -35.75 68.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -67.6 -60.86 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.676 HG13 HD12 ' A' ' 72' ' ' ILE . 10.3 p -56.68 -33.24 39.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 93.8 m -67.65 -57.44 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.548 HD23 ' CD1' ' A' ' 34' ' ' ILE . 3.1 tm? -56.07 -37.35 69.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -67.05 -48.96 66.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -52.04 67.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.774 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.0 t -61.11 -24.88 66.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -82.92 88.04 6.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.99 16.66 16.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.906 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.837 0.351 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -138.63 86.93 2.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.7 t -86.61 146.18 6.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -125.54 144.77 50.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.753 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -115.8 174.53 5.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.94 -46.46 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.6 t0 56.35 -179.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -108.98 -176.15 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.807 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.8 t -115.54 -28.07 6.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.232 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -56.36 144.06 32.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -178.71 42.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.5 p -80.75 145.76 31.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.04 159.63 70.62 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.605 0.716 . . . . 0.0 111.143 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -171.18 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.656 2.238 . . . . 0.0 112.364 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -120.59 47.27 1.82 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.0 mtt-85 -124.94 73.85 65.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.483 0.658 . . . . 0.0 110.805 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 98.34 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.409 ' O ' HG12 ' A' ' 24' ' ' VAL . 19.2 t -91.92 -10.32 9.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 63.66 50.84 2.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.965 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.556 HG23 ' H ' ' A' ' 29' ' ' GLN . 2.1 t -108.61 159.18 16.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -51.12 -49.28 61.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.7 m -52.29 -51.44 58.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.556 ' H ' HG23 ' A' ' 26' ' ' THR . 9.0 tp60 -60.46 -38.87 85.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 26' ' ' THR . 89.2 t -62.99 -54.41 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.102 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.723 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.48 -52.22 51.5 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.501 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.11 -44.16 94.88 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.44 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.608 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.8 OUTLIER -63.45 -49.45 73.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 -179.876 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.535 ' O ' HD23 ' A' ' 38' ' ' LEU . 15.9 mm -53.91 -44.34 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.073 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 31' ' ' GLY . 30.9 p -65.43 -43.0 91.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -59.15 -55.39 35.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.701 HG22 HD11 ' A' ' 41' ' ' ILE . 8.5 p -60.24 -36.37 68.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.9 OUTLIER -59.93 -48.42 81.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.983 179.889 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -64.94 -44.5 89.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.977 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -44.91 91.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.701 HD11 HG22 ' A' ' 37' ' ' VAL . 39.0 mt -63.11 -47.35 92.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 38' ' ' LEU . 94.6 t -56.15 -45.72 80.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -42.78 91.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.7 ttt -66.64 -32.07 73.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.52 -51.27 24.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.805 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -28.64 67.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.9 -37.37 63.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.3 mt -56.04 -26.19 48.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.06 30.33 4.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 63.08 34.76 13.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.42 45.83 95.48 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.478 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -100.66 118.5 36.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.1 t -67.61 -35.88 79.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -30.49 71.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.831 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.1 t -61.57 -27.61 68.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.7 mtt -62.01 -48.45 80.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -102.6 30.77 4.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -90.43 -63.91 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.59 23.63 13.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -102.5 27.36 6.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.06 -30.74 14.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.26 -30.89 5.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.61 -41.24 66.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.045 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -53.71 -31.28 47.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -107.46 27.24 9.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -134.27 26.12 3.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.89 HD23 HD21 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -100.06 126.52 46.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.96 -29.91 28.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.89 HD21 HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -63.77 156.37 72.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.933 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 118.67 5.82 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -148.02 127.96 13.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.801 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.441 ' HB ' HG11 ' A' ' 182' ' ' VAL . 41.4 mt -51.96 143.73 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.34 -42.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -80.19 177.71 8.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -116.39 167.7 10.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -75.35 140.32 42.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.8 -86.7 0.24 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 82.5 m 56.8 66.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -107.09 32.39 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.971 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -129.04 74.97 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.44 118.29 12.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.105 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 179.83 -80.27 0.06 OUTLIER Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.426 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -69.25 166.32 18.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.947 0.403 . . . . 0.0 110.92 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -57.61 110.96 0.98 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -99.76 -58.98 1.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 57.47 65.98 1.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 24.7 mm 65.28 151.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 95.1 m -114.95 -60.2 1.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.11 116.01 23.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.938 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.89 -178.21 5.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.89 148.57 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 67.8 mt -92.51 -25.08 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.465 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -71.07 -41.81 70.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -52.4 60.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.77 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.69 -48.34 73.68 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.99 -50.18 69.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.865 0.364 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 93' ' ' SER . 4.0 mm? -60.67 -49.23 78.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -55.27 -49.94 70.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -57.46 -49.9 74.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.513 ' HA ' HD21 ' A' ' 103' ' ' LEU . 35.6 t-80 -54.22 -44.44 71.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.801 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.3 t -63.82 -41.43 97.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.428 ' HB3' HD12 ' A' ' 172' ' ' ILE . 20.1 m-85 -61.82 -64.01 1.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.982 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' A' ' 100' ' ' HIS . 2.3 pp -51.77 -41.64 61.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.495 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -62.65 -39.68 94.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.653 ' CE1' HG22 ' A' ' 154' ' ' THR . 21.5 t80 -64.59 -52.03 59.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.532 ' HE2' HD11 ' A' ' 110' ' ' LEU . 19.6 ptm -65.71 -35.95 82.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.826 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -53.18 -31.4 42.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -63.67 -38.38 90.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -123.07 95.11 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 114' ' ' LYS . 11.1 mt -148.23 168.42 22.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -176.02 0.6 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -62.28 -51.16 68.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.788 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -72.28 -48.01 45.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.577 ' HB3' HD22 ' A' ' 110' ' ' LEU . 8.2 mttt -55.7 -33.35 64.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -53.3 24.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -54.71 -43.85 72.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -73.7 -32.8 64.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.62 -46.46 90.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -55.61 -49.58 72.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.99 -44.11 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.157 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.4 mp -58.67 -49.04 79.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.5 -50.06 75.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.962 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -53.99 -53.06 58.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.94 -45.15 74.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.511 HG22 HD12 ' A' ' 129' ' ' ILE . 10.2 m -56.84 -51.1 70.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -63.95 -28.83 70.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.53 ' HB ' HD11 ' A' ' 33' ' ' LEU . 33.4 m -71.27 -56.45 6.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.608 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.6 pp -61.22 -35.97 78.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.511 HD12 HG22 ' A' ' 125' ' ' THR . 88.1 mt -70.86 -42.58 77.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -63.63 -40.64 97.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 13.7 mt -68.31 -52.08 41.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.187 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.508 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.5 m-85 -62.03 -45.29 94.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.06 -39.59 94.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -62.31 -51.8 66.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.49 -52.08 67.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.814 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 132' ' ' PHE . 94.0 t -60.91 -35.93 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -42.02 91.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -70.46 -35.26 73.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.83 -30.12 56.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -163.9 162.25 23.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.08 174.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.426 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.67 144.24 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.426 ' N ' HD13 ' A' ' 142' ' ' ILE . 31.6 m -126.28 164.28 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.173 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.14 141.55 27.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.559 0.695 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -47.79 0.84 Allowed 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.646 2.23 . . . . 0.0 112.334 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.7 m 65.27 72.8 0.45 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.474 0.654 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 160.22 50.48 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.635 2.223 . . . . 0.0 112.387 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.9 tt -118.04 -14.86 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.075 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.748 ' O ' HD12 ' A' ' 153' ' ' LEU . 3.6 m -51.22 -30.65 18.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -50.71 -40.91 55.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -64.38 -35.31 80.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.5 mp -68.61 -51.7 39.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 149' ' ' SER . 1.5 mp -58.76 -51.04 71.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.653 HG22 ' CE1' ' A' ' 105' ' ' TYR . 66.5 p -62.55 -39.49 93.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -52.09 -38.33 56.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.2 126.64 38.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -165.65 90.92 0.48 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -124.65 87.38 2.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 59.76 174.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -114.12 175.56 5.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt 56.13 52.25 10.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.16 171.94 7.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -107.81 52.53 0.71 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 23.5 mt -148.74 -46.2 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 4.5 ttt-85 -68.4 -29.45 68.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.4 -26.78 5.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -69.23 -68.76 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.6 m -48.45 -44.93 35.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 37.9 mm -62.78 -45.3 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -62.28 -32.6 73.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.07 -55.12 10.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.428 HD12 ' HB3' ' A' ' 102' ' ' TYR . 23.0 pt -59.41 -35.93 61.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.79 -54.5 18.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -59.8 -49.05 79.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.588 ' CB ' HD11 ' A' ' 69' ' ' LEU . 51.9 p -59.74 -43.87 94.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.47 HD11 HD11 ' A' ' 180' ' ' LEU . 9.5 tp -58.21 -58.02 10.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.677 ' HA ' HD12 ' A' ' 180' ' ' LEU . 0.0 OUTLIER -53.14 -50.98 63.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.794 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.578 ' O ' HG23 ' A' ' 182' ' ' VAL . 80.4 mt-10 -57.59 -49.97 74.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -59.19 -32.9 70.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 177' ' ' GLU . 15.3 mt -67.93 -61.93 1.64 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -51.57 -42.22 61.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.026 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 178' ' ' GLU . 86.2 t -63.85 -47.88 88.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 99.6 m -60.08 -35.91 76.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.477 ' HG ' HG21 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -68.09 -54.62 16.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -65.15 -25.7 67.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.803 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.1 t -73.85 -49.88 22.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.6 t -70.12 -24.86 63.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.191 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -80.82 69.09 7.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -66.41 -18.01 65.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 40.8 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 -179.923 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 75.0 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.831 0.348 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -107.42 63.1 0.62 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.961 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 p -80.72 140.8 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.188 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.07 123.82 32.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -101.43 156.18 17.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.56 37.41 3.83 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.01 62.15 2.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.798 0.332 . . . . 0.0 110.777 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.1 t80 61.51 171.28 0.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.7 t -68.13 -27.05 66.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.198 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.07 172.0 13.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -152.8 30.72 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.2 t -176.94 163.56 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.79 159.62 57.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.673 0.749 . . . . 0.0 111.094 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -170.94 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.616 2.211 . . . . 0.0 112.359 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -126.63 29.25 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -116.65 73.93 6.16 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.644 0.735 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.81 124.44 11.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.291 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 m -102.17 -13.96 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 63.55 48.7 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.508 ' O ' HG23 ' A' ' 30' ' ' VAL . 11.5 p -110.2 165.65 11.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -51.71 -46.1 63.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.4 m -54.7 -51.47 65.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -41.26 97.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 26' ' ' THR . 94.9 t -61.56 -54.11 39.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.125 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.75 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.7 -51.75 54.84 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.99 -40.26 95.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.487 HD11 ' HB ' ' A' ' 127' ' ' THR . 1.7 tt -63.49 -43.34 97.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.752 0.31 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.531 HD13 ' HB2' ' A' ' 184' ' ' LEU . 95.6 mt -63.64 -40.84 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 31' ' ' GLY . 29.7 p -64.18 -46.12 85.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.128 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -62.01 -55.33 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.609 HG22 HD11 ' A' ' 41' ' ' ILE . 9.7 p -59.32 -33.24 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.679 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.9 mt -65.33 -48.11 74.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.1 t90 -63.49 -40.64 97.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -63.45 -45.88 88.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.609 HD11 HG22 ' A' ' 37' ' ' VAL . 29.0 mt -61.82 -43.82 97.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 38' ' ' LEU . 96.8 t -61.07 -50.1 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -64.88 -41.22 95.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -33.92 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.797 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -69.76 -51.32 35.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -28.87 66.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.59 -34.36 61.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.84 -25.56 67.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 65.9 m -95.97 29.8 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.987 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 63.29 31.81 15.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.86 42.14 98.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -100.79 103.71 14.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.6 p -55.16 -26.61 39.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.15 -28.12 67.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.7 t -64.26 -26.16 68.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -49.66 76.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -110.31 25.96 11.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -74.85 -60.29 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -98.16 30.91 2.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -95.85 25.97 4.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.804 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.99 -31.36 11.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.055 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.61 -37.47 2.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.09 -31.86 44.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -53.93 -28.15 35.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -121.34 25.89 9.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -137.16 25.9 2.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.524 HD22 HD12 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -97.58 -48.31 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.52 21.78 8.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.524 HD12 HD22 ' A' ' 67' ' ' LEU . 20.5 mt -84.11 159.27 60.04 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.546 0.688 . . . . 0.0 110.982 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 78.49 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.324 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -115.22 161.03 19.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.547 HD11 HG13 ' A' ' 182' ' ' VAL . 21.8 pt -104.74 163.87 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.174 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -175.71 147.99 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -99.94 -48.69 4.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 60.91 177.95 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -108.44 50.15 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.819 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.61 -96.92 0.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.43 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 52.3 m 52.08 64.45 1.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.922 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -98.62 149.18 23.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.88 132.48 53.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.8 m -77.66 -36.42 51.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.65 -46.96 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.531 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -135.73 175.44 9.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.934 0.397 . . . . 0.0 110.946 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 m120 57.85 -176.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -166.15 168.79 15.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 56.37 69.23 0.76 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 12.1 tt -158.35 144.18 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -173.53 109.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.3 mt 71.26 -68.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 59.09 -177.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.37 105.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.593 HG23 ' CZ ' ' A' ' 179' ' ' PHE . 62.1 mt -106.07 -37.0 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.091 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.512 ' O ' HD23 ' A' ' 97' ' ' LEU . 1.3 m -58.63 -37.96 77.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.2 t -53.84 -52.3 60.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.88 -50.99 55.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.425 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.908 HD21 HD11 ' A' ' 128' ' ' LEU . 1.2 tp -54.07 -47.77 71.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.884 0.373 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 93' ' ' SER . 3.9 mm? -61.72 -49.11 77.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -50.56 71.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.724 ' HB3' HD13 ' A' ' 176' ' ' LEU . 22.3 m-85 -56.86 -47.51 80.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -55.48 -48.69 74.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.822 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.0 p -62.84 -36.12 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.688 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.8 m-85 -63.25 -64.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.509 HD23 HD22 ' A' ' 176' ' ' LEU . 2.2 pp -54.12 -39.5 66.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.492 ' N ' HD12 ' A' ' 103' ' ' LEU . 3.1 mm-40 -65.31 -37.17 86.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.752 ' CE1' HG22 ' A' ' 154' ' ' THR . 8.2 t80 -67.27 -47.23 71.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.724 ' CE ' HD11 ' A' ' 110' ' ' LEU . 15.5 ptm -72.85 -25.85 61.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.697 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -53.38 -45.34 69.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -59.83 -31.83 70.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -110.63 73.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.724 HD11 ' CE ' ' A' ' 106' ' ' MET . 11.9 mt -145.16 178.04 8.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.7 -176.01 5.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -61.59 -51.1 69.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -67.75 -50.88 54.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.575 ' HB3' HD22 ' A' ' 110' ' ' LEU . 6.9 mttt -55.55 -35.84 66.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.68 -53.21 23.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.933 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -51.93 -46.15 64.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.812 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -73.1 -36.54 66.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.94 -45.7 74.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.052 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.36 -45.9 76.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.84 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 94.6 t -66.69 -33.97 66.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.551 HD11 HG13 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -66.48 -51.02 61.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.983 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -63.4 -39.79 95.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -62.31 -50.57 71.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -59.0 -49.39 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.75 HG22 HD11 ' A' ' 129' ' ' ILE . 6.6 m -55.44 -51.04 68.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -58.38 -38.46 77.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.487 ' HB ' HD11 ' A' ' 33' ' ' LEU . 86.2 m -62.13 -56.0 23.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.193 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.908 HD11 HD21 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -61.61 -30.32 70.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.75 HD11 HG22 ' A' ' 125' ' ' THR . 40.0 mt -70.41 -39.94 77.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -39.65 71.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 43.5 mt -67.17 -49.66 70.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.562 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.5 m-85 -64.76 -49.08 72.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -59.55 -41.74 90.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -62.74 -52.0 64.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -60.06 -51.86 67.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 132' ' ' PHE . 98.9 t -58.94 -54.24 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.03 -43.68 63.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -70.03 -30.48 67.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.876 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.32 -47.82 46.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -138.32 -75.36 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.63 -173.91 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.472 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.68 146.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.472 ' N ' HD13 ' A' ' 142' ' ' ILE . 5.9 m -131.08 107.36 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -175.85 86.53 0.29 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.541 0.686 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -48.65 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.737 2.292 . . . . 0.0 112.297 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 178.95 147.54 0.39 Allowed Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.645 0.736 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.88 166.62 27.12 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 11.2 tt -117.19 -24.93 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.072 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.14 -33.37 39.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -50.86 -50.5 56.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.956 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.4 -48.7 71.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 16.8 mt -55.06 -53.3 57.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -53.58 -63.37 1.17 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.752 HG22 ' CE1' ' A' ' 105' ' ' TYR . 70.6 p -51.24 -32.88 25.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.17 -38.53 79.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -95.23 67.28 2.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.98 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.74 -46.8 51.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.16 176.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 47.5 m -143.21 29.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -134.35 163.07 30.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.69 119.09 12.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.43 35.29 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 53.65 49.36 19.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 20.2 mt -115.81 -40.0 3.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.968 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -58.24 -29.67 65.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.87 -26.39 5.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -69.62 -69.03 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.6 m -48.45 -44.62 35.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.2 mm -63.26 -47.47 92.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -63.04 -30.45 71.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 0.404 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -70.46 -55.09 9.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.688 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.4 pt -61.2 -36.48 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.21 -53.84 26.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -56.24 -45.85 79.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.4 t -60.94 -48.85 79.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.724 HD13 ' HB3' ' A' ' 99' ' ' TYR . 18.0 tp -54.29 -58.06 8.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.503 ' CD ' HG22 ' A' ' 42' ' ' VAL . 4.0 tt0 -52.69 -52.11 57.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -37.51 72.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.593 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 43.8 t80 -69.66 -31.31 69.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.448 ' HB2' HD21 ' A' ' 38' ' ' LEU . 55.7 mt -72.37 -46.21 56.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.9 ptpm? -65.19 -44.03 89.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.547 HG13 HD11 ' A' ' 72' ' ' ILE . 8.3 p -68.85 -34.63 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 8.2 m -69.4 -47.45 64.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.531 ' HB2' HD13 ' A' ' 34' ' ' ILE . 2.9 tm? -71.72 -30.4 65.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -75.0 -37.38 61.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.747 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.6 t -74.18 -50.76 17.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.062 0.458 . . . . 0.0 110.951 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 11.9 t -51.26 -30.44 17.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 7.3 mtm-85 -51.94 -67.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -179.59 -34.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.963 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 79.6 p . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.186 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.787 0.327 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -147.86 95.24 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -116.98 149.87 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.064 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.0 78.11 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.849 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.39 170.22 8.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 133.1 53.28 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.448 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -135.63 135.92 40.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.808 0.337 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -131.53 149.85 52.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.792 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 t -117.46 -26.71 6.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.11 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -52.15 142.46 16.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -166.11 28.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.3 p -150.29 178.66 8.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -56.59 159.6 6.56 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.617 0.722 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 177.17 5.85 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -125.73 28.11 6.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 63.67 153.84 0.12 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.705 0.764 . . . . 0.0 110.813 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 113.92 3.53 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.731 2.288 . . . . 0.0 112.294 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.545 HG13 HG23 ' A' ' 26' ' ' THR . 9.6 p -107.99 -20.69 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 64.14 47.18 3.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.659 ' O ' HG23 ' A' ' 30' ' ' VAL . 68.2 p -113.45 162.48 16.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.127 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.7 p -51.8 -41.9 62.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 m -60.42 -51.59 68.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -35.47 77.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 26' ' ' THR . 98.8 t -63.33 -54.6 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.71 ' O ' HG23 ' A' ' 35' ' ' THR . . . -59.72 -51.94 55.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.455 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.76 -41.76 94.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.766 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.4 OUTLIER -64.03 -49.76 71.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.712 0.292 . . . . 0.0 110.908 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.602 ' N ' HD23 ' A' ' 33' ' ' LEU . 24.0 mm -54.62 -43.38 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.256 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 31' ' ' GLY . 29.8 p -65.11 -44.09 89.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.193 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -58.63 -55.57 33.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.745 HG22 HD11 ' A' ' 41' ' ' ILE . 8.4 p -59.63 -36.5 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.168 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.1 mm? -59.77 -48.54 81.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -64.53 -42.49 95.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.931 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -45.81 92.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.745 HD11 HG22 ' A' ' 37' ' ' VAL . 32.6 mt -61.37 -48.15 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.164 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 38' ' ' LEU . 89.8 t -56.91 -51.25 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.39 -46.13 83.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.8 ttt -65.82 -31.89 73.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.2 ttp85 -72.96 -51.25 19.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -28.85 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -56.45 -31.92 64.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.58 -27.5 68.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 56.2 m -99.03 30.97 3.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 t30 63.17 26.55 15.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.64 37.58 93.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.369 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -94.48 110.53 22.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.8 p -55.39 -27.0 44.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.3 -39.31 92.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.794 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -33.92 72.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.0 mtp -58.78 -32.17 69.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -122.88 26.79 8.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -89.55 -62.0 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.21 26.41 8.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.801 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -103.19 26.27 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.62 -29.79 10.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.088 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.61 -33.9 4.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.546 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -58.99 -39.08 80.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -53.1 -33.17 51.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -113.51 26.23 10.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -141.59 25.89 1.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.558 HD11 ' HE2' ' A' ' 174' ' ' LYS . 0.2 OUTLIER -88.66 136.57 32.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.74 -25.59 18.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.765 HD21 HG22 ' A' ' 172' ' ' ILE . 10.7 mp -63.96 160.64 45.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 110.958 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 145.83 58.51 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.712 2.275 . . . . 0.0 112.323 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.03 145.29 28.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 72.6 mt -74.27 124.18 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -74.99 -74.41 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -166.59 116.69 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -127.8 156.01 43.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.28 -38.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.815 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 154.76 107.03 0.28 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.431 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 57.5 m -85.33 -30.23 23.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 61.36 -178.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -92.59 130.89 38.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.9 t -165.71 150.68 8.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.21 -101.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.454 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -103.74 83.12 2.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.21 -66.53 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.33 142.73 16.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -103.02 -70.6 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.0 tt -138.41 140.18 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 69.0 m -113.06 -55.84 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.81 100.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.41 36.26 4.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -82.24 90.82 6.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.1 mt -109.65 -35.34 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.3 p -59.32 -48.65 80.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.833 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.47 ' HA ' HD21 ' A' ' 144' ' ' LEU . 1.1 m -53.85 -52.29 60.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.38 -46.94 91.57 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.535 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.601 HD22 ' CG1' ' A' ' 129' ' ' ILE . 10.6 mt -57.83 -56.13 25.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.809 0.338 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.568 HD22 HD12 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -55.04 -48.37 73.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -52.8 -50.84 62.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -58.35 -46.07 86.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.994 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -55.36 -45.07 76.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.841 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -39.08 89.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.602 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.4 m-85 -60.38 -60.98 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.838 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 pp -57.86 -42.29 84.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -34.44 76.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.806 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.623 ' CD1' HG22 ' A' ' 154' ' ' THR . 2.8 t80 -71.64 -47.22 55.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 27.9 ttp -70.39 -26.03 63.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -30.34 71.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.934 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -60.09 -39.7 87.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -121.98 94.05 4.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.686 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.3 mt -149.06 178.02 9.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.988 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -80.01 -176.05 5.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -51.06 68.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -70.78 -47.9 57.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.767 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.686 ' CB ' HD22 ' A' ' 110' ' ' LEU . 16.6 mmtm -55.74 -38.81 70.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -67.72 -51.48 48.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.27 -48.74 65.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -38.15 73.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.88 -45.07 74.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.051 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.61 -49.87 71.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.5 -43.67 94.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.081 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.08 -49.02 79.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -58.3 -50.36 73.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -53.72 -53.15 56.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.07 -44.94 75.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.646 HG22 ' CD1' ' A' ' 129' ' ' ILE . 7.0 m -58.31 -51.0 71.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.93 -32.5 72.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.601 ' HB ' HD11 ' A' ' 33' ' ' LEU . 8.2 m -69.08 -56.47 7.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.048 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.766 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -60.3 -32.92 71.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.646 ' CD1' HG22 ' A' ' 125' ' ' THR . 75.2 mt -72.3 -41.33 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -64.63 -43.82 92.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 23.0 mt -67.7 -48.62 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.57 -50.16 70.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -60.4 -40.07 89.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -63.43 -46.48 86.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -60.38 -52.26 66.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.7 m -65.06 -31.83 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -66.47 -43.31 85.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.88 -26.01 43.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.9 tp -76.24 -46.61 27.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -138.08 -75.75 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.8 -169.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.48 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -171.55 146.12 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.48 ' N ' HD13 ' A' ' 142' ' ' ILE . 5.8 m -140.15 107.65 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.087 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.568 HD12 HD22 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -176.03 87.33 0.28 Allowed Pre-proline 0 C--N 1.327 -0.39 0 CA-C-O 121.647 0.737 . . . . 0.0 110.883 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.518 ' O ' HG23 ' A' ' 146' ' ' THR . 54.3 Cg_endo -69.69 -43.47 2.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.755 2.303 . . . . 0.0 112.344 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -175.32 159.14 2.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 111.134 -179.822 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.494 ' HD2' HG22 ' A' ' 146' ' ' THR . 53.8 Cg_endo -69.72 -172.99 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.64 2.227 . . . . 0.0 112.385 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.3 tt -132.29 -39.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 29.2 t -64.44 -25.66 68.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -50.6 -51.14 51.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.795 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.85 -47.51 74.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 22.3 mt -55.17 -55.05 35.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.473 HD11 HG21 ' A' ' 168' ' ' THR . 3.9 mm? -53.38 -62.89 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.623 HG22 ' CD1' ' A' ' 105' ' ' TYR . 66.3 p -52.47 -32.68 40.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.198 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -72.75 -33.85 66.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.25 -75.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.3 mt -177.04 -67.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -155.9 47.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.9 m 61.43 79.75 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.21 179.51 8.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -124.35 175.18 7.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -166.52 165.98 16.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.23 28.98 8.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.12 27.54 5.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -77.0 -29.31 55.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.23 -26.72 12.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -70.03 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . 0.473 HG21 HD11 ' A' ' 153' ' ' LEU . 96.8 m -48.92 -45.45 41.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.38 -46.76 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -61.78 -32.2 72.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -69.71 -55.27 10.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.765 HG22 HD21 ' A' ' 69' ' ' LEU . 18.8 pt -60.32 -36.36 68.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.22 -52.16 44.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.558 ' HE2' HD11 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -59.82 -47.23 86.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.943 179.773 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 4.4 t -62.39 -39.42 93.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.689 HD12 HD13 ' A' ' 180' ' ' LEU . 11.1 tp -63.08 -45.64 91.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -57.12 11.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.52 ' O ' HG23 ' A' ' 182' ' ' VAL . 17.8 pt-20 -57.19 -36.73 71.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -64.1 -48.86 74.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.689 HD13 HD12 ' A' ' 176' ' ' LEU . 5.6 mp -61.02 -41.7 97.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . 0.557 ' HG2' HD11 ' A' ' 38' ' ' LEU . 3.5 mtmt -61.63 -52.04 66.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.972 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 178' ' ' GLU . 66.2 t -63.13 -33.16 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 97.7 m -68.43 -47.77 66.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.643 ' O ' HD13 ' A' ' 184' ' ' LEU . 3.4 tm? -68.85 -31.55 70.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.43 -38.29 49.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.962 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 41.5 t -76.6 -48.08 20.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.0 t -52.93 -28.11 21.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -51.71 -37.46 50.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.941 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.12 16.77 9.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 22.0 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.927 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.826 0.346 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -176.54 131.81 0.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.2 t -92.33 142.6 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -110.37 140.77 44.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -118.36 171.95 7.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.66 53.08 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.94 71.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.3 167.81 21.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.4 t -120.47 -32.87 3.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -91.38 168.16 11.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.817 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -162.64 52.71 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.4 p -79.4 169.61 17.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.55 159.57 71.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.54 0.686 . . . . 0.0 111.125 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -173.0 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.644 2.23 . . . . 0.0 112.337 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -90.55 -44.07 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.97 157.19 64.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.561 0.695 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 129.32 17.38 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.768 2.312 . . . . 0.0 112.296 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.6 t -107.1 -21.46 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 63.56 26.44 14.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.95 168.39 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -32.87 37.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.9 p -68.27 -43.77 77.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.69 -50.85 70.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.7 m -62.16 -40.89 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 35' ' ' THR . . . -59.96 -53.02 49.32 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.508 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.41 -38.98 97.21 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.738 HD21 ' O ' ' A' ' 124' ' ' ASP . 2.4 tt -64.87 -44.19 90.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.772 0.32 . . . . 0.0 110.876 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.577 HD13 HD22 ' A' ' 184' ' ' LEU . 34.6 mt -62.03 -43.91 98.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 31' ' ' GLY . 59.3 p -62.97 -45.94 90.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -59.04 -55.41 35.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.715 HG22 ' CD1' ' A' ' 41' ' ' ILE . 13.3 p -60.36 -33.01 52.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.771 HD11 ' HB3' ' A' ' 180' ' ' LEU . 1.5 mp -62.37 -48.66 78.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -65.73 -42.67 90.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.41 -47.25 86.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.804 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.715 ' CD1' HG22 ' A' ' 37' ' ' VAL . 48.2 mt -60.27 -47.97 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 38' ' ' LEU . 92.7 t -56.12 -53.47 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -58.15 -45.56 87.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.1 ttt -63.96 -31.65 72.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.504 HH21 ' NE2' ' A' ' 170' ' ' GLN . 0.8 OUTLIER -68.86 -51.3 41.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.842 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -71.49 -28.5 63.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.34 -36.9 66.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.567 HD12 ' HE3' ' A' ' 114' ' ' LYS . 7.1 mp -56.9 -32.92 66.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.0 m -95.97 36.68 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.2 t30 58.09 27.31 14.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.2 39.62 98.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -94.92 113.83 25.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.72 -28.4 47.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.789 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.68 -46.55 88.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -26.78 46.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 32.6 mtp -73.82 -42.14 61.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -109.09 34.73 3.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.22 -59.29 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.41 28.54 8.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -96.29 26.35 4.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.93 -25.55 8.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.051 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.29 -37.11 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.23 -40.21 81.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -56.43 -28.91 60.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.805 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -114.94 26.83 9.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -145.8 26.17 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.447 HD11 ' HE3' ' A' ' 174' ' ' LYS . 0.3 OUTLIER -84.69 136.54 33.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.953 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.27 -25.95 19.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.565 HD21 HG22 ' A' ' 172' ' ' ILE . 8.8 mp -64.12 160.68 46.34 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.687 0.756 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 142.99 49.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.28 160.79 42.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 71.4 mt -85.03 141.83 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -128.03 -72.93 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? 58.01 -176.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -130.87 -61.82 0.92 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.33 -173.93 3.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.849 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.21 27.06 14.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.552 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 33.6 m 53.27 51.18 16.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.929 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -60.6 151.51 28.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.971 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -68.67 -176.32 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.452 HG21 ' HB2' ' A' ' 85' ' ' GLN . 3.0 t -178.99 151.03 0.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -89.29 53.25 3.84 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -155.27 -74.09 0.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.866 0.365 . . . . 0.0 110.935 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -179.27 115.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.452 ' HB2' HG21 ' A' ' 81' ' ' THR . 3.2 tm0? -176.66 120.66 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -179.25 177.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 27.3 mm 64.05 106.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 58.6 m -126.21 87.93 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.77 164.04 26.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -176.96 -64.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.15 76.25 1.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.669 HG23 ' CZ ' ' A' ' 179' ' ' PHE . 77.6 mt -125.35 -37.57 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -40.56 74.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.06 -52.35 61.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.3 -50.92 58.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.557 HD13 ' HE2' ' A' ' 179' ' ' PHE . 0.9 OUTLIER -55.2 -50.49 69.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.86 0.362 . . . . 0.0 110.883 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.84 -49.17 77.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -55.62 -49.56 72.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -56.52 -50.21 72.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -54.2 -47.42 72.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -36.35 83.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.749 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.7 m-85 -64.57 -64.46 0.87 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.919 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 122' ' ' GLN . 1.6 pp -52.56 -42.22 64.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.456 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.6 mm-40 -64.81 -37.67 88.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.786 ' CD1' HG22 ' A' ' 154' ' ' THR . 2.8 t80 -70.05 -49.37 51.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 32.2 ttp -68.25 -27.96 66.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -28.08 68.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -59.72 -36.84 77.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -129.07 98.16 4.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.657 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.7 mt -148.9 177.88 9.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -78.5 -176.04 4.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -62.7 -51.25 67.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -70.9 -48.11 55.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.657 ' CB ' HD22 ' A' ' 110' ' ' LEU . 19.7 mmtm -55.68 -37.22 68.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -68.35 -50.77 50.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -53.12 -47.45 68.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -72.11 -38.11 69.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.82 -45.51 74.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -55.57 -43.21 75.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 63.8 t -67.73 -35.99 74.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.2 -51.12 65.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.475 ' HA ' HD13 ' A' ' 103' ' ' LEU . 13.0 pt20 -63.32 -43.97 96.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -57.15 -53.11 61.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.738 ' O ' HD21 ' A' ' 33' ' ' LEU . 56.4 m-20 -57.24 -53.76 54.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.786 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.6 m -55.23 -46.15 76.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -54.96 -49.17 72.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.409 ' HB ' HD11 ' A' ' 33' ' ' LEU . 4.6 m -59.47 -51.51 69.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.143 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.625 HD23 ' N ' ' A' ' 129' ' ' ILE . 0.1 OUTLIER -56.3 -52.21 65.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.625 ' N ' HD23 ' A' ' 128' ' ' LEU . 67.8 mt -57.54 -37.24 57.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -62.72 -48.31 79.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 69.3 mt -63.0 -53.0 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -58.92 -50.19 74.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.793 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -58.14 -38.02 75.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -63.83 -49.82 71.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -58.53 -52.3 66.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.3 m -63.88 -32.15 55.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -65.84 -43.39 88.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -76.09 -28.77 57.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.94 -3.79 43.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 66.01 31.53 9.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.791 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.7 64.2 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.5 tp -145.35 143.18 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 21.8 m -123.0 -174.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.123 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.751 HD12 ' CG2' ' A' ' 146' ' ' THR . 0.1 OUTLIER -124.24 96.59 41.63 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.585 0.707 . . . . 0.0 110.85 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.89 -36.64 10.1 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.696 2.264 . . . . 0.0 112.288 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.751 ' CG2' HD12 ' A' ' 144' ' ' LEU . 49.6 p 47.41 75.84 0.62 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 111.185 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 146.4 60.77 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.777 2.318 . . . . 0.0 112.386 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.2 tt -118.46 -13.88 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.11 -44.1 52.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -51.8 -50.95 59.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.816 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -51.82 -48.72 63.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.7 mp -57.85 -48.22 80.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.587 HD23 ' CE2' ' A' ' 105' ' ' TYR . 0.4 OUTLIER -55.04 -63.0 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.786 HG22 ' CD1' ' A' ' 105' ' ' TYR . 48.5 p -53.75 -34.42 58.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -67.04 -30.28 70.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.0 174.5 8.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.88 -52.0 0.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -157.6 47.26 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.5 t -76.43 -51.04 12.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -74.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.931 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.11 -66.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -179.19 -38.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.808 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 13.5 p-90 -135.14 35.06 3.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.24 26.21 6.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.997 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 27.7 ptt-85 -81.85 -26.3 34.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 4.3 m -52.3 -26.64 12.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -69.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.962 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.8 m -48.87 -45.6 41.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.29 -46.91 95.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . 0.504 ' NE2' HH21 ' A' ' 45' ' ' ARG . 36.7 tt0 -60.49 -33.41 72.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -69.5 -55.24 10.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.749 HD12 ' HB3' ' A' ' 102' ' ' TYR . 20.1 pt -60.81 -35.72 66.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.211 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 18.1 mt -67.14 -54.27 22.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.936 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.447 ' HE3' HD11 ' A' ' 67' ' ' LEU . 5.1 tttp -56.42 -48.31 77.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.29 -42.66 99.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.1 tp -57.55 -52.32 65.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -58.93 -56.9 16.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.11 -47.39 68.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.669 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 35.6 t80 -55.83 -51.56 67.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.771 ' HB3' HD11 ' A' ' 38' ' ' LEU . 1.9 tp -54.35 -48.84 71.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . 0.56 ' HG2' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -55.15 -60.82 2.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.19 -46.55 67.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 92.6 m -52.94 -50.21 64.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.156 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.577 HD22 HD13 ' A' ' 34' ' ' ILE . 5.3 tp -61.28 -41.68 97.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -63.9 -30.92 71.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 42.0 t -74.32 -52.16 13.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.808 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.3 t -59.94 -32.88 71.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.169 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -58.95 -177.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.803 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 63.29 16.81 9.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.118 -179.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.918 0.39 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -106.11 59.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 p -109.16 147.73 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.07 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -90.54 100.37 13.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.7 177.31 8.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.64 -19.83 4.43 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.505 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -56.63 137.2 54.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.57 -170.85 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.3 t -121.1 -33.13 3.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.27 -179.51 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -171.35 40.55 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.9 p -107.19 165.33 11.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.74 159.54 72.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.6 0.714 . . . . 0.0 111.085 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -171.14 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.707 2.272 . . . . 0.0 112.299 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -78.75 -34.79 45.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.54 157.12 68.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.502 0.668 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 89.97 0.51 Allowed 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.742 2.295 . . . . 0.0 112.413 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.0 -13.37 15.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 63.23 26.01 15.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.959 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.62 176.43 6.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.169 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.98 -33.11 66.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 p -67.8 -42.21 81.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -50.8 68.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.7 m -62.29 -39.7 85.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.177 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.622 ' O ' HG23 ' A' ' 35' ' ' THR . . . -61.93 -52.54 49.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.525 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.5 -36.61 93.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.547 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.705 HD21 ' O ' ' A' ' 124' ' ' ASP . 1.9 tt -66.32 -50.12 64.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.811 0.339 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.513 HD13 ' HB2' ' A' ' 184' ' ' LEU . 97.5 mt -59.49 -42.25 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 31' ' ' GLY . 69.2 p -63.55 -46.8 84.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -58.06 -55.43 34.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.824 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.715 HG22 ' CD1' ' A' ' 41' ' ' ILE . 13.5 p -60.05 -34.2 55.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.051 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.4 mp -61.25 -48.59 80.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -65.05 -43.34 92.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.426 ' HB3' HD11 ' A' ' 121' ' ' LEU . 1.6 tm-20 -61.6 -44.2 97.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.812 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.715 ' CD1' HG22 ' A' ' 37' ' ' VAL . 44.8 mt -62.15 -46.61 96.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 38' ' ' LEU . 88.1 t -58.78 -47.38 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.07 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -66.87 -41.37 87.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.2 ttt -66.54 -31.85 72.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.955 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.04 -51.09 16.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.474 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -69.31 -28.73 66.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -53.88 -32.74 54.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.3 mt -58.37 -31.58 67.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.02 29.73 2.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 61.82 28.58 17.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.55 39.09 68.62 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.592 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -93.06 106.73 18.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 110.927 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.77 -27.36 50.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.81 -27.13 67.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -26.14 65.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 10.4 mtt -66.4 -51.8 53.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -97.89 31.65 2.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -78.84 -48.61 14.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.47 ' OD1' HD21 ' A' ' 62' ' ' LEU . 6.6 t0 -144.48 35.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -96.13 26.36 4.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.804 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.52 -31.09 9.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.109 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.47 HD21 ' OD1' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -117.01 -28.12 6.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.024 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.528 ' HB1' ' CZ ' ' A' ' 171' ' ' PHE . . . -51.68 -47.28 63.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -60.52 -26.27 66.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -107.11 25.9 10.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -143.15 25.06 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.815 HD22 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -98.37 178.48 5.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.16 -19.0 10.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.815 HD11 HD22 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -84.6 158.47 59.87 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.591 0.71 . . . . 0.0 110.911 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 138.58 38.26 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -147.57 115.33 6.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.826 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.437 HD13 HG13 ' A' ' 182' ' ' VAL . 2.7 mp -51.82 119.11 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -134.1 -44.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.98 96.1 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -135.3 -44.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -53.38 170.8 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.781 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.42 31.24 10.71 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.499 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 19.7 p -123.72 38.32 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -159.83 135.6 8.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 173.04 178.73 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.8 m 61.89 30.35 18.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.189 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 59.8 -113.82 5.69 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 59.33 175.59 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.904 0.383 . . . . 0.0 110.939 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -132.41 53.38 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -148.8 127.88 12.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -147.45 125.34 11.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 21.5 pt -121.07 42.02 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.174 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.7 m -97.11 104.27 16.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.2 mt -69.67 171.66 8.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.982 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -161.64 119.08 2.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -119.4 88.1 2.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.569 HG23 ' CZ ' ' A' ' 179' ' ' PHE . 61.8 mt -107.08 -37.54 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.089 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 t -52.52 -41.36 63.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 t -54.03 -52.31 61.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.69 -51.35 54.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.445 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.72 HD21 HD11 ' A' ' 128' ' ' LEU . 0.8 OUTLIER -53.45 -49.82 66.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.837 0.351 . . . . 0.0 110.98 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.567 HD22 HD12 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -59.71 -49.23 78.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -56.97 -49.65 75.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.93 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.575 ' CB ' HD13 ' A' ' 176' ' ' LEU . 20.4 m-85 -56.02 -47.46 77.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -56.71 -48.44 77.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.779 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.88 -33.0 74.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.637 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.4 m-85 -67.22 -64.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 104' ' ' GLU . 1.7 pp -52.78 -39.23 62.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.97 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.5 tt0 -66.23 -42.71 88.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.752 ' CD1' HG22 ' A' ' 154' ' ' THR . 4.6 t80 -60.32 -47.06 87.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.947 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.474 ' SD ' HG23 ' A' ' 169' ' ' ILE . 6.1 ptm -74.7 -25.96 59.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.563 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -64.7 -37.81 88.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.73 -24.18 63.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -129.55 83.76 2.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.639 HD22 ' CB ' ' A' ' 114' ' ' LYS . 7.2 mt -147.78 177.97 8.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -76.83 -175.98 3.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -63.11 -51.21 67.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -69.08 -48.78 61.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.639 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.1 mmtm -55.76 -41.09 73.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -67.42 -44.66 78.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -55.84 -49.98 71.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.803 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.8 mmtm -71.86 -38.54 70.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.81 -44.76 74.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -55.6 -49.69 72.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.83 -41.05 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.157 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 40' ' ' GLU . 1.9 mp -58.91 -49.93 75.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.35 -48.19 82.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -53.92 -53.26 55.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.705 ' O ' HD21 ' A' ' 33' ' ' LEU . 76.8 m-20 -55.8 -49.1 74.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.959 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.689 HG22 ' CD1' ' A' ' 129' ' ' ILE . 5.9 m -55.64 -48.78 74.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -60.84 -35.25 76.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.523 ' O ' HD12 ' A' ' 131' ' ' ILE . 5.7 m -64.84 -56.46 13.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.72 HD11 HD21 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -61.35 -31.33 71.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.945 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.689 ' CD1' HG22 ' A' ' 125' ' ' THR . 48.7 mt -71.86 -38.3 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.071 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.45 -42.66 74.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.523 HD12 ' O ' ' A' ' 127' ' ' THR . 6.0 mt -67.48 -49.81 67.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.578 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.4 m-85 -61.99 -50.13 73.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -60.84 -39.75 90.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.8 tp60 -61.39 -53.32 58.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -60.55 -52.35 65.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 132' ' ' PHE . 97.8 t -57.04 -55.07 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.163 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -52.9 -43.03 65.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -69.99 -28.49 65.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.841 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.42 -55.39 5.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -128.79 -75.19 0.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.48 -169.71 0.15 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.99 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.2 tp -176.34 145.36 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.079 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 143' ' ' VAL . 5.4 m -136.66 104.93 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.567 HD12 HD22 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -175.67 86.47 0.3 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.559 0.695 . . . . 0.0 110.904 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.523 ' O ' HG23 ' A' ' 146' ' ' THR . 54.2 Cg_endo -69.74 -42.79 3.12 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.634 2.223 . . . . 0.0 112.363 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -175.14 159.54 2.22 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.637 0.732 . . . . 0.0 111.121 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.477 ' HD2' HG22 ' A' ' 146' ' ' THR . 53.2 Cg_endo -69.81 -176.3 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.625 2.216 . . . . 0.0 112.332 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.5 tt -129.74 -38.7 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 16.4 m -57.9 -27.26 63.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -51.09 -50.31 58.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.38 -48.74 71.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.5 mt -55.6 -51.68 66.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.82 -63.77 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.988 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.752 HG22 ' CD1' ' A' ' 105' ' ' TYR . 58.0 p -53.34 -32.69 50.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.16 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -70.65 -33.46 70.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.99 154.47 23.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 14.7 mt -133.61 -52.2 0.87 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.991 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.49 71.45 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.8 t -145.07 -60.07 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.07 -32.33 72.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.963 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.27 110.71 16.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -100.11 -31.41 11.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -54.18 -71.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.2 mt -177.21 146.57 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -28.19 67.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 3.1 m -50.77 -26.59 5.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -69.32 -69.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.8 m -48.47 -45.0 36.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.474 HG23 ' SD ' ' A' ' 106' ' ' MET . 39.4 mm -63.01 -45.59 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.048 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.6 -30.69 71.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 0.528 ' CZ ' ' HB1' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -71.18 -55.26 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.637 HD12 ' HB3' ' A' ' 102' ' ' TYR . 13.0 pt -59.13 -39.51 78.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.593 HD12 HG23 ' A' ' 41' ' ' ILE . 3.5 mm? -67.21 -48.52 67.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -44.5 95.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 22.3 m -62.76 -44.04 97.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.575 HD13 ' CB ' ' A' ' 99' ' ' TYR . 17.8 tp -60.4 -47.49 85.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -59.59 -57.19 14.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -59.23 -30.94 68.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.569 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 53.4 t80 -74.92 -30.87 61.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.533 ' CB ' HD11 ' A' ' 38' ' ' LEU . 46.5 mt -74.88 -47.26 31.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . 0.449 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -67.99 -39.51 83.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 179' ' ' PHE . 5.7 p -70.57 -35.51 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.227 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 22.6 m -75.23 -34.02 61.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.513 ' HB2' HD13 ' A' ' 34' ' ' ILE . 2.8 tm? -75.99 -35.3 59.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -33.19 40.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 23.6 m -77.36 -49.57 14.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.069 0.462 . . . . 0.0 110.964 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.0 t -51.71 -29.67 19.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.178 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 -52.85 106.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -115.71 16.67 16.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 13.9 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.175 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -140.88 67.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.2 t -127.21 135.43 63.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -89.02 87.41 7.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -86.99 171.72 10.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -103.38 28.03 17.4 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.431 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.5 t70 52.17 57.43 6.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.854 0.359 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 55.12 -175.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.2 t -102.66 -26.49 13.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -112.0 -175.03 2.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -119.55 33.64 5.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.0 p -99.38 167.41 10.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.205 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.11 159.67 58.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.55 0.69 . . . . 0.0 111.134 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -170.94 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.712 2.275 . . . . 0.0 112.351 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -80.48 -39.32 28.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -125.65 155.3 72.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.528 0.68 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 110.78 2.63 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 m -97.09 -15.97 7.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 63.48 41.24 7.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.013 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.46 ' O ' HG23 ' A' ' 30' ' ' VAL . 8.3 p -95.58 161.47 14.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -51.91 -47.78 64.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.38 -51.2 60.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -36.56 78.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 26' ' ' THR . 73.7 t -63.68 -54.38 32.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.708 ' O ' HG23 ' A' ' 35' ' ' THR . . . -58.4 -52.1 54.74 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.513 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.06 -43.8 94.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.506 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.766 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.5 OUTLIER -63.14 -49.5 74.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.743 0.306 . . . . 0.0 110.889 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.083 HG21 HD13 ' A' ' 184' ' ' LEU . 11.5 mm -54.05 -44.58 63.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 31' ' ' GLY . 30.5 p -65.12 -43.16 92.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -58.56 -55.45 34.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.704 HG22 HD11 ' A' ' 41' ' ' ILE . 8.1 p -59.97 -35.55 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.102 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.713 HD11 ' HG2' ' A' ' 181' ' ' LYS . 0.3 OUTLIER -60.17 -48.63 80.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -65.78 -42.62 90.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.544 ' OE2' HG11 ' A' ' 120' ' ' VAL . 2.3 mt-10 -59.7 -46.43 89.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.704 HD11 HG22 ' A' ' 37' ' ' VAL . 36.7 mt -62.9 -47.09 94.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.092 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 38' ' ' LEU . 98.6 t -57.82 -41.7 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.084 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.37 -43.71 69.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.412 ' SD ' HD11 ' A' ' 173' ' ' LEU . 1.8 ttt -65.73 -31.8 73.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -74.81 -50.71 16.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -68.74 -28.82 67.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -54.72 -38.09 66.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.9 mt -55.94 -26.55 48.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.38 33.16 4.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 58.79 37.06 25.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.05 43.29 93.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.567 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -91.69 120.29 32.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.4 p -63.41 -33.45 75.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.816 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -45.7 91.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.801 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.02 -29.95 32.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.7 mtp -61.26 -37.92 84.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.75 26.71 9.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -85.43 -60.78 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.95 26.45 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -103.42 28.82 6.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.55 -30.93 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.69 -32.26 4.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.34 -37.83 57.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.041 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -53.98 -29.2 42.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -117.15 27.07 9.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -146.55 30.07 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.838 HD22 HD12 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -103.45 -48.87 3.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.26 23.83 9.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.838 HD12 HD22 ' A' ' 67' ' ' LEU . 20.3 mt -83.99 159.25 60.42 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.648 0.737 . . . . 0.0 110.947 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.86 79.25 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.64 2.226 . . . . 0.0 112.346 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -108.01 160.73 15.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.6 mt -64.76 138.88 22.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -168.86 49.96 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.449 ' HB2' HD11 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -115.83 100.97 8.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.44 114.31 27.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.817 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -170.05 -179.65 3.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -103.52 95.73 1.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.78 28.92 7.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 110.926 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -142.25 36.83 1.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.77 36.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.9 t -163.87 162.92 23.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -144.88 -104.26 0.44 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.447 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.7 t80 62.93 90.44 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.9 0.381 . . . . 0.0 110.996 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 54.98 55.62 7.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.33 175.44 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.84 154.61 21.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.837 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.1 pt -99.86 27.26 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.082 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.43 125.08 29.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -136.12 -43.17 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.523 HD23 ' CG1' ' A' ' 92' ' ' ILE . 1.1 tp 60.67 171.27 0.09 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -126.36 53.6 1.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.536 HG23 ' CZ ' ' A' ' 179' ' ' PHE . 61.7 mt -74.68 -40.56 47.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.4 t -53.63 -37.09 62.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.3 t -53.92 -52.46 60.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.69 -49.88 61.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.913 HD21 HD11 ' A' ' 128' ' ' LEU . 1.2 tp -55.29 -46.83 76.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 mp -61.86 -48.98 78.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -51.4 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -57.4 -48.24 79.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.469 ' HA ' HD21 ' A' ' 103' ' ' LEU . 36.5 t-80 -54.25 -45.71 72.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.1 m -63.81 -41.0 97.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.403 ' HB3' HD12 ' A' ' 172' ' ' ILE . 19.4 m-85 -62.09 -64.51 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.469 HD21 ' HA ' ' A' ' 100' ' ' HIS . 2.5 pp -52.35 -40.14 61.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.431 ' N ' HD12 ' A' ' 103' ' ' LEU . 3.3 mm-40 -64.67 -37.77 88.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.942 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.656 ' CD1' HG22 ' A' ' 154' ' ' THR . 2.7 t80 -65.12 -49.25 70.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.027 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.529 ' HE2' HD11 ' A' ' 110' ' ' LEU . 9.4 ptm -68.38 -30.4 69.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.84 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.679 ' HA ' HD12 ' A' ' 110' ' ' LEU . 7.1 tmtt? -54.17 -36.6 63.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.977 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -45.16 93.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -105.76 82.49 1.8 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 107' ' ' LYS . 11.0 mt -145.82 175.72 10.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.007 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.0 -176.04 5.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.09 -51.06 69.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -48.18 63.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.598 ' HB3' HD22 ' A' ' 110' ' ' LEU . 21.7 mmtm -55.91 -40.01 72.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -51.98 45.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.825 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.54 -46.24 63.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -73.17 -36.58 66.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.8 77.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -55.68 -41.32 73.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.544 HG11 ' OE2' ' A' ' 40' ' ' GLU . 91.7 t -71.02 -35.72 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -51.94 42.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -64.86 -35.25 80.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -65.26 -49.97 67.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.797 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -60.72 -46.68 89.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.678 HG22 HD11 ' A' ' 129' ' ' ILE . 5.7 m -58.02 -48.84 78.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.256 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -58.51 -42.03 86.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.44 ' HB ' HD11 ' A' ' 33' ' ' LEU . 6.7 m -60.54 -55.35 34.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.065 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.913 HD11 HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -60.55 -30.59 69.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.678 HD11 HG22 ' A' ' 125' ' ' THR . 40.1 mt -71.2 -37.9 68.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.14 -40.63 71.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 85.7 mt -67.78 -48.64 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.452 ' O ' HG23 ' A' ' 136' ' ' VAL . 4.2 m-85 -64.57 -48.05 76.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -61.3 -40.9 95.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -62.45 -51.27 68.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -57.4 -51.88 67.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 132' ' ' PHE . 94.3 t -61.02 -49.95 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -51.91 -44.9 64.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.023 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -68.71 -37.23 79.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -34.37 77.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -157.41 -75.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -179.43 -169.75 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.4 tp -170.68 143.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 18.8 m -114.77 -173.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.045 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 145' ' ' PRO . 0.2 OUTLIER 63.94 86.93 0.13 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.649 0.738 . . . . 0.0 110.937 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 144' ' ' LEU . 53.0 Cg_endo -69.85 -41.9 3.77 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.618 2.212 . . . . 0.0 112.335 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -160.29 159.15 26.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.535 0.683 . . . . 0.0 111.175 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.73 166.53 27.23 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.615 2.21 . . . . 0.0 112.37 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 15.2 tt -117.36 -24.48 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -22.74 66.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -50.07 -48.22 53.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.771 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.63 -45.63 81.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 20.3 mt -57.82 -52.42 65.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.586 HD11 HG21 ' A' ' 168' ' ' THR . 3.9 mm? -54.51 -62.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.656 HG22 ' CD1' ' A' ' 105' ' ' TYR . 65.9 p -51.9 -34.06 39.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -43.35 77.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -76.89 130.22 37.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -173.2 126.93 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 58.7 55.76 4.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 9.3 m -117.21 -36.83 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -170.23 149.49 3.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -128.25 118.57 23.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -173.88 50.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.811 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 63.3 m95 60.08 43.95 13.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.8 mp -99.81 -33.51 10.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -47.95 66.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.32 -26.83 13.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -69.17 -70.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . 0.586 HG21 HD11 ' A' ' 153' ' ' LEU . 10.6 m -48.95 -44.03 40.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.207 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.18 -45.88 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.186 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -63.04 -30.04 71.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.76 -55.38 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.403 HD12 ' HB3' ' A' ' 102' ' ' TYR . 17.6 pt -58.07 -38.77 69.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.07 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.412 HD11 ' SD ' ' A' ' 44' ' ' MET . 3.6 mm? -68.0 -50.15 57.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.509 ' HE3' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -58.44 -52.17 66.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.824 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 55.9 p -60.07 -42.74 95.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.573 HD12 HD13 ' A' ' 180' ' ' LEU . 13.1 tp -55.98 -54.01 49.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -55.32 36.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.94 -49.69 65.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.536 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 54.6 t80 -53.62 -53.19 55.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.573 HD13 HD12 ' A' ' 176' ' ' LEU . 6.6 mp -55.38 -40.93 71.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . 0.713 ' HG2' HD11 ' A' ' 38' ' ' LEU . 10.7 mtmt -58.78 -62.55 1.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 6.1 p -57.8 -38.76 67.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 60.6 m -55.21 -52.22 64.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 1.083 HD13 HG21 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -64.69 -44.34 90.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.967 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -59.01 -29.45 67.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 7.1 t -82.53 -50.13 9.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.608 HG22 ' HA ' ' A' ' 184' ' ' LEU . 6.4 t -66.37 -16.35 64.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.072 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -83.79 -54.39 4.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 63.07 16.75 9.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 40.7 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.824 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.781 0.324 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 62.98 75.14 0.41 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.9 t -111.61 137.34 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -113.76 70.79 0.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 55.48 -178.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.62 36.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -110.19 122.74 48.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.844 0.355 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.71 159.36 42.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.507 HG23 ' HG3' ' A' ' 16' ' ' GLU . 4.8 t -67.04 -31.61 72.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.206 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.507 ' HG3' HG23 ' A' ' 15' ' ' THR . 25.4 mt-10 -127.06 -177.55 4.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -140.02 26.05 2.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.5 p 47.18 90.53 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.164 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.27 159.63 2.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.519 0.676 . . . . 0.0 111.124 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 177.05 5.99 Favored 'Trans proline' 0 C--N 1.34 0.1 0 C-N-CA 122.7 2.266 . . . . 0.0 112.296 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -155.06 53.3 0.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 61.7 160.83 0.11 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.561 0.696 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 78.52 0.98 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.662 2.242 . . . . 0.0 112.369 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.405 HG23 ' H ' ' A' ' 26' ' ' THR . 18.8 m -82.82 -16.89 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 63.51 36.73 10.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.657 ' O ' HG23 ' A' ' 30' ' ' VAL . 21.7 p -109.98 165.85 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 p -58.43 -40.28 82.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m -60.29 -51.65 68.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -62.11 -41.81 98.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.762 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 26' ' ' THR . 91.4 t -61.2 -54.34 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.718 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.15 -51.96 52.44 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.25 -40.94 94.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.543 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.514 HD11 ' HB ' ' A' ' 127' ' ' THR . 1.4 tt -64.38 -49.8 70.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.549 ' O ' HD23 ' A' ' 38' ' ' LEU . 26.2 mm -55.44 -42.96 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.151 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.718 HG23 ' O ' ' A' ' 31' ' ' GLY . 31.3 p -65.35 -44.23 88.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -57.76 -55.67 31.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.841 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.737 HG22 HD11 ' A' ' 41' ' ' ILE . 7.8 p -60.08 -36.85 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.621 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -59.04 -48.4 81.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -65.5 -42.07 92.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -61.87 -41.12 97.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.737 HD11 HG22 ' A' ' 37' ' ' VAL . 33.0 mt -66.17 -46.79 86.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.179 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 38' ' ' LEU . 87.6 t -58.14 -48.12 85.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.263 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -66.5 -41.72 88.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.426 ' O ' HD13 ' A' ' 48' ' ' LEU . 3.1 ttp -65.91 -32.14 73.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -72.9 -51.14 19.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.421 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -69.42 -28.86 66.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.93 -38.23 67.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 44' ' ' MET . 9.2 mp -61.29 -26.34 67.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 m -96.23 27.39 3.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t30 62.52 34.23 15.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.41 41.9 98.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.482 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -100.39 105.05 16.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.5 p -57.82 -26.46 62.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.81 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.8 -29.17 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.65 -28.03 69.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.1 mtp -58.49 -43.97 89.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -116.81 26.03 10.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -74.09 -60.43 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.8 23.33 13.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.506 ' HA ' ' HB3' ' A' ' 63' ' ' ALA . 6.4 t70 -76.21 -27.34 56.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.33 -29.73 25.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.13 -31.62 7.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.506 ' HB3' ' HA ' ' A' ' 60' ' ' ASP . . . -55.0 -28.4 51.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.074 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.55 -27.02 56.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -111.59 26.2 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -137.76 27.28 2.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 mt -103.64 -67.32 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 58.18 22.62 9.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.979 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mp -84.16 160.78 56.73 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.526 0.679 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 82.03 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -120.63 149.92 41.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.4 mt -56.33 143.08 10.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.62 155.82 33.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.23 176.62 9.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.1 m120 62.97 77.73 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.03 166.04 24.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 176.96 -31.99 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.44 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.99 141.38 58.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.796 0.332 . . . . 0.0 110.839 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -109.86 175.85 5.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -101.97 34.87 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.942 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -30.16 67.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.0 -122.79 30.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.556 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 59.78 26.54 15.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.899 0.38 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 57.15 92.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.61 ' HG3' HG22 ' A' ' 87' ' ' ILE . 6.1 pt20 -125.99 -39.58 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 52.25 35.6 17.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.61 HG22 ' HG3' ' A' ' 85' ' ' GLN . 17.2 tt -102.97 -25.45 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.153 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 80.5 m -104.74 146.59 28.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.9 mt -119.36 141.23 49.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.64 99.64 3.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.35 79.63 5.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.8 mt -95.6 -29.68 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.402 ' HB3' HD23 ' A' ' 144' ' ' LEU . 1.4 m -71.0 -45.5 63.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -52.42 60.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.28 -49.77 68.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.531 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.416 HD23 HG12 ' A' ' 129' ' ' ILE . 1.3 mp -53.68 -47.06 70.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.918 0.39 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.539 ' CD2' HD21 ' A' ' 144' ' ' LEU . 3.1 mm? -61.96 -49.38 76.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.3 -53.37 56.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.734 ' HB3' HD13 ' A' ' 176' ' ' LEU . 24.7 m-85 -55.58 -47.16 76.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.987 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -54.56 -47.48 73.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -38.81 91.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.791 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.2 m-85 -61.33 -63.59 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 pp -55.14 -36.87 66.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.928 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -65.98 -36.97 84.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -68.77 -52.03 34.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.738 ' HE1' HD11 ' A' ' 110' ' ' LEU . 4.6 ppp? -66.89 -28.09 68.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.834 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -63.49 -28.62 70.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.79 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -35.65 81.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -128.5 98.17 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.738 HD11 ' HE1' ' A' ' 106' ' ' MET . 6.6 mt -148.8 177.96 9.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -75.15 -176.03 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -64.04 -51.22 65.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.9 -47.1 48.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.597 ' HB3' HD22 ' A' ' 110' ' ' LEU . 8.4 mttt -55.68 -34.18 64.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -68.8 -53.1 23.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.53 -45.07 69.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -72.24 -39.02 68.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.93 -46.4 74.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -55.66 -44.1 76.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 90.5 t -67.26 -34.19 67.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.582 HD21 HG12 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -66.3 -50.8 62.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -63.27 -41.82 99.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -60.31 -53.13 61.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -57.23 -46.26 83.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.561 HG22 ' CD1' ' A' ' 129' ' ' ILE . 22.2 m -56.47 -51.13 69.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.98 -34.67 73.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.514 ' HB ' HD11 ' A' ' 33' ' ' LEU . 11.1 m -64.63 -56.15 15.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.116 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.406 HD22 ' CD1' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -62.65 -31.38 72.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.561 ' CD1' HG22 ' A' ' 125' ' ' THR . 67.9 mt -71.17 -38.03 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.076 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.42 -42.22 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.1 mt -66.8 -47.94 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -64.89 -50.05 68.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -59.4 -40.69 87.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -63.49 -49.45 73.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -57.21 -52.07 66.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.3 -28.06 42.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.165 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -69.15 -40.71 78.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.49 -41.73 54.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -57.99 4.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.84 -169.72 2.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -111.5 145.14 39.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 142' ' ' ILE . 6.7 tp -177.0 125.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 21.7 t -145.27 150.02 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.539 HD21 ' CD2' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -137.31 155.33 75.77 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.62 0.724 . . . . 0.0 110.921 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.522 ' O ' HG23 ' A' ' 146' ' ' THR . 53.1 Cg_endo -69.81 -86.55 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.683 2.255 . . . . 0.0 112.306 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -175.38 159.63 2.13 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.538 0.685 . . . . 0.0 111.149 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.479 ' HD2' HG22 ' A' ' 146' ' ' THR . 52.9 Cg_endo -69.9 156.32 63.26 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.736 2.291 . . . . 0.0 112.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 21.0 tt -116.56 -20.53 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.177 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.415 ' HA ' HD12 ' A' ' 152' ' ' LEU . 3.3 m -51.86 -33.32 35.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -51.85 -51.09 59.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.07 81.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 149' ' ' SER . 48.1 mt -60.77 -62.67 1.69 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.789 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.51 -51.27 65.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 46.9 p -58.06 -33.1 68.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -70.66 -34.28 71.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -72.71 -45.35 59.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.02 139.5 58.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.942 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -169.26 -61.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.4 m -157.44 41.28 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.935 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.19 154.77 31.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.45 -73.34 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.832 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 60.17 176.42 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -95.22 39.35 1.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.9 tt -104.9 -25.52 12.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -59.41 -30.18 68.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.93 -27.21 12.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -69.75 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.2 m -48.9 -45.35 41.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.53 -47.83 91.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -61.35 -32.04 71.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.51 -55.19 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.791 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.8 pt -61.17 -35.84 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -67.24 -50.95 58.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -58.27 -47.33 83.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 10.5 t -61.14 -46.52 90.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.734 HD13 ' HB3' ' A' ' 99' ' ' TYR . 18.5 tp -56.05 -51.36 68.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -57.67 -57.06 14.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 182' ' ' VAL . 7.5 mt-10 -53.28 -50.04 65.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -57.03 -44.22 82.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 38.8 mt -57.9 -49.81 75.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . 0.528 ' CG ' HD11 ' A' ' 38' ' ' LEU . 5.6 mtmp? -57.47 -53.88 53.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 178' ' ' GLU . 65.0 t -55.2 -37.39 43.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.022 0.439 . . . . 0.0 111.249 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 30.5 m -70.29 -38.15 74.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.623 ' O ' HD13 ' A' ' 184' ' ' LEU . 2.6 tm? -66.76 -38.54 86.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -81.27 -28.23 34.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 7.7 m -78.17 -41.62 34.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.802 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.0 t -65.39 -30.22 71.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -85.37 135.57 33.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -103.89 -17.79 14.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.205 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.4 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.805 0.335 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.01 99.45 2.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.6 p -59.5 149.38 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -115.46 148.11 39.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.26 -179.57 4.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.78 19.95 5.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.455 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -59.49 129.63 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.91 0.386 . . . . 0.0 110.808 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -136.45 163.26 30.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.7 t -117.69 -27.97 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 63.14 161.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.16 41.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.7 p 52.83 -173.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -112.59 159.57 33.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 111.153 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -171.13 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -96.38 -31.83 12.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.961 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.3 mmm-85 -125.59 155.34 72.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.59 0.71 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 81.64 0.81 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.737 2.291 . . . . 0.0 112.324 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -86.6 -14.23 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 63.6 51.46 2.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.521 HG23 ' H ' ' A' ' 29' ' ' GLN . 2.0 t -108.95 158.99 17.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.137 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 p -51.44 -48.38 62.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -51.57 55.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.521 ' H ' HG23 ' A' ' 26' ' ' THR . 1.6 tm0? -60.18 -39.87 87.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 26' ' ' THR . 91.5 t -64.03 -54.09 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.688 ' O ' HG23 ' A' ' 35' ' ' THR . . . -54.72 -51.86 49.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.64 -38.79 97.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.532 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.65 -43.56 89.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.502 ' CD1' HD22 ' A' ' 184' ' ' LEU . 85.1 mt -64.28 -40.95 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 31' ' ' GLY . 73.1 p -64.31 -47.1 80.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.232 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -61.47 -55.24 33.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.802 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.595 HG22 HD11 ' A' ' 41' ' ' ILE . 7.7 p -59.5 -33.7 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.662 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.9 mt -64.2 -48.46 75.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -63.23 -44.11 96.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.64 -47.13 86.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.595 HD11 HG22 ' A' ' 37' ' ' VAL . 31.9 mt -60.09 -48.93 86.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.052 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 38' ' ' LEU . 92.3 t -54.69 -53.26 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.71 -40.28 83.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.3 tpt -65.52 -32.03 73.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.98 -48.99 41.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -70.13 -28.29 65.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -53.93 -44.69 70.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.458 HD21 HG21 ' A' ' 169' ' ' ILE . 9.1 mp -58.65 -25.94 63.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.834 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.9 m -95.81 26.09 4.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t30 63.01 37.87 11.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.58 27.68 27.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.443 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -84.5 107.99 17.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.921 0.391 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.7 p -54.97 -26.83 39.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.78 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.05 -44.93 94.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.6 t -53.68 -28.21 32.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.5 mtp -62.47 -41.3 98.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -123.73 38.27 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -90.92 -72.17 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -107.24 32.79 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.87 26.1 4.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.6 -30.86 14.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.06 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.01 -33.78 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.516 ' HB1' ' CE1' ' A' ' 171' ' ' PHE . . . -61.5 -38.7 88.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.077 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -54.4 -27.57 37.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -119.23 30.86 6.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 -139.34 24.19 2.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.522 HD23 ' CD2' ' A' ' 171' ' ' PHE . 1.3 mp -90.81 -34.21 15.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.63 22.06 9.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mp -84.09 160.67 57.15 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.678 0.751 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 78.47 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.27 . . . . 0.0 112.317 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -110.01 160.9 16.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.8 mt -76.33 140.5 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -160.3 37.53 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -150.16 70.67 1.04 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.823 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -108.44 60.98 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.975 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -122.09 167.66 12.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.65 101.79 1.33 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.453 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.57 115.77 1.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 30.9 t80 62.83 162.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 58.15 -179.9 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.2 m 56.14 75.32 0.34 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.138 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.47 -24.34 29.67 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 30.8 t80 62.22 46.53 6.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.932 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.73 146.74 43.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.56 164.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -162.67 26.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 mt -116.06 114.11 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.55 109.4 14.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.76 145.91 51.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.58 94.62 4.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -105.28 72.22 0.97 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.8 mt -104.87 -26.01 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -50.22 36.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.9 m -55.96 -52.31 64.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.87 -51.11 60.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 mp -54.61 -48.57 72.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.328 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 145' ' ' PRO . 0.1 OUTLIER -56.38 -49.15 75.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -55.27 -52.21 64.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -55.39 -44.22 75.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.475 ' HA ' HD21 ' A' ' 103' ' ' LEU . 21.9 t-80 -59.95 -42.55 94.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.9 m -69.82 -29.37 66.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.764 ' HB3' HD12 ' A' ' 172' ' ' ILE . 14.7 m-85 -72.57 -52.67 14.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.563 HD13 ' HA ' ' A' ' 122' ' ' GLN . 2.3 pp -63.46 -42.98 98.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.548 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.9 pp20? -67.88 -33.16 74.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.59 ' CE1' HG22 ' A' ' 154' ' ' THR . 27.6 t80 -67.54 -50.83 56.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.416 ' HG2' HD11 ' A' ' 110' ' ' LEU . 11.4 ttp -70.59 -36.3 73.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.413 ' HA ' HD12 ' A' ' 110' ' ' LEU . 4.0 tmtt? -51.6 -36.04 44.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -59.9 -38.52 82.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -123.71 95.78 4.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.591 HD13 ' HB3' ' A' ' 114' ' ' LYS . 10.5 mt -149.01 173.13 13.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -73.23 -175.94 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -51.33 68.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.803 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -71.92 -48.65 43.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.591 ' HB3' HD13 ' A' ' 110' ' ' LEU . 7.2 mttt -55.64 -32.15 62.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -66.71 -53.09 37.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.25 -42.43 81.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -72.67 -31.51 65.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.91 87.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.144 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -61.95 -50.45 72.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.435 HG23 HH21 ' A' ' 123' ' ' ARG . 7.2 p -64.83 -36.12 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -50.44 71.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.563 ' HA ' HD13 ' A' ' 103' ' ' LEU . 0.7 OUTLIER -61.97 -48.69 79.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.435 HH21 HG23 ' A' ' 120' ' ' VAL . 41.6 ttp180 -53.95 -51.76 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.87 -51.01 70.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.4 m -56.92 -48.08 79.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -54.74 -47.18 74.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.9 m -60.23 -49.63 76.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.102 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.619 HD23 ' N ' ' A' ' 129' ' ' ILE . 0.1 OUTLIER -58.89 -51.81 68.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.619 ' N ' HD23 ' A' ' 128' ' ' LEU . 63.1 mt -57.8 -36.49 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -65.89 -47.07 76.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.5 mt -61.83 -51.85 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -61.35 -50.0 74.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -56.22 -39.54 72.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -64.87 -54.94 23.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -48.5 63.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.4 t -69.13 -32.89 55.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -69.3 -27.73 65.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -84.57 -46.04 11.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.6 mt -94.57 20.46 8.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 179.72 -169.42 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -157.32 103.39 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 142' ' ' ILE . 6.9 tp -151.39 123.77 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 48.7 t -148.68 146.86 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.62 85.67 0.3 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.528 0.68 . . . . 0.0 110.823 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.447 ' HA ' HD22 ' A' ' 97' ' ' LEU . 54.8 Cg_endo -69.75 -86.03 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.658 2.239 . . . . 0.0 112.412 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 27.4 m 62.75 67.67 1.09 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.566 0.698 . . . . 0.0 111.107 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 98.4 0.68 Allowed 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.407 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -122.9 -35.44 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.2 m -54.71 -47.15 74.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -51.9 -51.0 59.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.31 -53.68 47.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.8 mp -51.63 -53.07 42.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.86 -64.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.59 HG22 ' CE1' ' A' ' 105' ' ' TYR . 63.1 p -51.59 -32.83 30.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -67.28 -38.01 84.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -86.71 82.54 7.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.08 179.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -104.85 -73.85 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.76 167.1 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 58.02 179.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 59.13 27.72 16.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -179.33 129.82 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -95.82 32.88 1.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.953 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.7 -27.21 11.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.949 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -31.98 48.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . 0.447 HG23 ' HB3' ' A' ' 48' ' ' LEU . 2.6 m -51.86 -27.0 11.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -69.54 -69.96 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.4 m -48.82 -45.87 41.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.458 HG21 HD21 ' A' ' 48' ' ' LEU . 1.7 mp -60.85 -49.21 85.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -59.77 -31.0 69.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 0.522 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -70.64 -55.19 9.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.764 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.6 pt -61.62 -36.71 75.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.17 -53.12 33.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -56.58 -46.23 80.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.839 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -49.53 77.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.78 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.4 tp -53.89 -55.87 22.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -52.8 -55.77 20.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.55 ' O ' HG23 ' A' ' 182' ' ' VAL . 3.3 mm-40 -52.92 -38.54 61.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -63.01 -50.49 70.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 22.3 mt -56.41 -48.3 77.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -57.84 -58.85 6.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 178' ' ' GLU . 60.6 t -54.6 -48.45 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 97.5 m -51.68 -51.37 56.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.502 HD22 ' CD1' ' A' ' 34' ' ' ILE . 6.1 tp -61.13 -38.99 88.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -66.01 -30.38 70.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 39.0 t -75.35 -52.08 11.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.817 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.402 HG22 ' HA ' ' A' ' 184' ' ' LEU . 5.3 t -58.05 -34.57 70.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.099 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -66.32 90.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.85 -19.75 10.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.185 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.882 0.372 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -174.19 127.34 0.36 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.9 t -113.79 141.19 30.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -132.16 138.05 47.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -90.08 -179.62 5.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.9 34.43 5.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.546 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -118.02 155.54 30.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -119.09 156.87 28.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.0 t -121.62 -33.55 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.168 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 62.54 163.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -178.91 89.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -64.93 167.3 7.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.9 159.67 35.11 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.682 0.753 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -170.85 0.42 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.625 2.217 . . . . 0.0 112.382 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -85.65 -25.65 26.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.3 ptt-85 -136.67 156.51 76.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.596 0.712 . . . . 0.0 110.82 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 85.59 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.632 2.222 . . . . 0.0 112.403 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.405 ' O ' HG12 ' A' ' 24' ' ' VAL . 19.9 t -78.51 -10.85 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 63.65 24.55 13.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.964 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.33 166.41 13.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -51.69 -45.93 63.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.84 -51.32 57.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -39.95 90.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 80.9 t -61.9 -54.22 37.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.0 -52.2 52.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.35 -38.33 93.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.524 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.756 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.1 OUTLIER -66.05 -39.97 90.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.767 0.317 . . . . 0.0 110.964 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.627 HG22 HD12 ' A' ' 38' ' ' LEU . 25.5 mm -63.91 -53.21 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 t -60.15 -37.83 81.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.17 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -66.97 -55.69 13.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.565 HG22 HD11 ' A' ' 41' ' ' ILE . 7.8 p -62.13 -32.39 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.661 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.7 mt -66.62 -48.3 69.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -63.73 -41.3 98.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -62.5 -47.93 81.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.565 HD11 HG22 ' A' ' 37' ' ' VAL . 37.7 mt -60.41 -45.75 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.065 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 38' ' ' LEU . 92.2 t -59.49 -45.91 93.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -65.83 -44.65 84.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.438 ' HE1' ' HB2' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -65.77 -31.83 73.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -75.29 -49.5 19.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.784 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -29.01 66.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -60.86 -30.08 69.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.4 mt -58.09 -34.22 69.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 54.8 m -96.69 37.31 1.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 56.77 27.65 13.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.57 43.33 77.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -100.35 108.22 20.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 110.915 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.3 p -56.26 -34.08 66.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -30.76 70.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -25.94 67.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.783 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.4 mtp -66.07 -49.76 66.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -113.67 37.06 3.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -71.01 -47.73 57.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.841 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.81 31.08 0.96 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.799 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.406 ' HA ' ' HB3' ' A' ' 63' ' ' ALA . 12.5 p-10 -70.98 -23.16 62.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.09 19.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.51 HD12 ' N ' ' A' ' 63' ' ' ALA . 4.1 pp -112.52 -37.72 4.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.51 ' N ' HD12 ' A' ' 62' ' ' LEU . . . -61.89 -37.87 86.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -56.75 -26.0 56.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -109.56 27.65 9.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -132.47 24.07 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mp -102.25 -42.24 6.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 58.13 24.04 10.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.487 HD23 ' HE1' ' A' ' 99' ' ' TYR . 6.6 mp -83.89 160.61 57.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 0.0 110.922 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 78.69 1.01 Allowed 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.739 2.293 . . . . 0.0 112.305 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -119.12 147.46 44.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.4 mt -57.62 142.06 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.31 149.15 25.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.954 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -106.15 99.76 9.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -171.89 52.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.25 -179.81 0.15 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 151.68 -152.83 24.53 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 51.6 m -73.66 132.19 42.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.909 0.385 . . . . 0.0 110.808 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.79 -172.83 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -54.21 159.05 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.807 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 60.0 m 52.46 84.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -164.02 67.76 0.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -68.54 -59.9 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 110.918 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -86.17 172.31 10.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 59.29 87.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.53 97.82 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -123.52 44.59 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.131 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 6.5 p -140.65 153.47 46.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.29 173.09 11.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.2 pp -174.57 139.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -126.26 64.88 1.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.583 HG23 ' CZ ' ' A' ' 179' ' ' PHE . 78.5 mt -62.22 -23.98 33.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.22 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.413 ' O ' HD12 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -66.98 -41.66 86.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.747 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.85 -52.41 60.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.802 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.04 -51.21 46.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.511 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.42 -48.87 65.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.856 0.36 . . . . 0.0 110.94 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.583 HD21 HD11 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -62.7 -49.07 76.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 179.879 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -56.12 -56.95 14.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.724 ' HB3' HD13 ' A' ' 176' ' ' LEU . 22.5 m-85 -53.87 -46.14 71.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -55.3 -47.45 75.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -36.69 84.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.749 ' HB3' HD12 ' A' ' 172' ' ' ILE . 28.5 m-85 -62.57 -63.21 1.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.1 pp -55.12 -42.58 73.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.971 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.55 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.1 mt-10 -60.47 -40.65 91.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.779 ' CD1' HG22 ' A' ' 154' ' ' THR . 3.3 t80 -65.35 -52.02 56.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.449 ' HG2' HD11 ' A' ' 110' ' ' LEU . 3.6 ttp -65.26 -27.58 68.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -68.44 -25.97 65.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -60.31 -36.96 79.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -136.73 102.66 4.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.785 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.687 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.1 mt -149.09 166.91 27.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -60.01 -175.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.67 -51.21 63.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -71.97 -47.26 53.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.687 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.7 mmtm -55.53 -36.25 66.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -68.49 -51.03 47.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -53.63 -46.45 70.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -72.14 -39.63 68.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.438 ' HB2' ' HE1' ' A' ' 44' ' ' MET . . . -54.91 -42.94 72.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -55.72 -49.45 73.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.02 -41.42 90.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.184 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.529 HD21 HG12 ' A' ' 41' ' ' ILE . 0.5 OUTLIER -59.67 -48.88 79.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -60.53 -49.59 76.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.81 -50.88 65.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -58.25 -45.0 88.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.539 HG22 HD12 ' A' ' 129' ' ' ILE . 13.6 m -56.33 -51.11 69.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -64.62 -31.25 72.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.406 ' O ' HD12 ' A' ' 131' ' ' ILE . 60.4 m -70.4 -55.71 8.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.756 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.4 pp -61.36 -35.38 77.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.539 HD12 HG22 ' A' ' 125' ' ' THR . 80.2 mt -71.89 -40.15 68.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.164 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -65.4 -42.79 92.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.406 HD12 ' O ' ' A' ' 127' ' ' THR . 9.4 mt -68.3 -47.72 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -64.85 -50.01 68.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -60.48 -40.77 92.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -63.29 -48.22 79.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -58.73 -52.16 66.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.7 p -65.63 -28.84 45.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -69.07 -41.61 77.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -74.68 -37.97 62.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 9.3 tp -72.27 -54.08 10.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -135.0 -169.64 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -173.13 1.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.829 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.8 tp -172.62 146.85 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 20.7 m -113.29 -174.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.708 HD12 HG22 ' A' ' 146' ' ' THR . 0.1 OUTLIER -143.37 93.98 6.29 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.619 0.723 . . . . 0.0 110.912 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.444 ' C ' HG23 ' A' ' 146' ' ' THR . 53.2 Cg_endo -69.84 -35.21 12.82 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.708 HG22 HD12 ' A' ' 144' ' ' LEU . 1.2 p 62.69 154.94 0.12 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.625 0.726 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 146.67 60.9 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.685 2.257 . . . . 0.0 112.363 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.84 -35.59 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.173 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.19 -27.09 30.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.832 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -51.6 -50.91 59.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -51.92 -51.24 58.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.3 mp -55.79 -49.6 72.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.652 HD23 ' CE2' ' A' ' 105' ' ' TYR . 0.6 OUTLIER -53.58 -63.14 1.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.779 HG22 ' CD1' ' A' ' 105' ' ' TYR . 45.0 p -51.59 -35.92 43.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.61 -35.18 75.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.63 100.82 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.5 mt -95.35 -178.15 4.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.835 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 56.27 80.78 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.6 t -65.75 114.29 4.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -113.83 103.5 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 3.7 tttt 61.28 178.81 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.978 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.69 33.74 2.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -102.26 -33.03 9.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 8.8 mt -82.63 -27.06 31.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -34.6 71.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 26.0 m -52.18 -26.56 11.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -69.56 -69.79 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.5 m -48.99 -45.51 42.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.421 ' CG2' HD12 ' A' ' 173' ' ' LEU . 1.6 mp -61.32 -47.69 92.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -61.59 -31.66 71.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 0.482 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -69.74 -55.11 10.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.749 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.4 pt -61.05 -36.18 70.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.421 HD12 ' CG2' ' A' ' 169' ' ' ILE . 9.1 mt -67.42 -50.27 60.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -58.41 -47.21 84.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -45.92 91.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.834 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.724 HD13 ' HB3' ' A' ' 99' ' ' TYR . 20.5 tp -55.6 -58.09 9.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.545 ' CD ' HG22 ' A' ' 42' ' ' VAL . 3.3 tt0 -54.31 -53.12 58.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -53.17 -49.18 67.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.583 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 67.2 t80 -64.04 -28.66 69.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.566 ' HB3' HD21 ' A' ' 38' ' ' LEU . 1.1 tp -69.55 -65.69 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -41.45 69.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 38.1 t -63.29 -52.47 58.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 26.7 m -56.69 -39.71 74.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.627 ' HG ' HG21 ' A' ' 34' ' ' ILE . 3.2 tm? -64.16 -55.65 20.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -63.06 -25.53 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 8.4 t -72.52 -48.2 42.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 184' ' ' LEU . 9.0 t -69.57 -25.02 63.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.123 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -86.28 162.15 18.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -59.88 -20.85 59.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.106 -179.898 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.835 0.35 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -111.04 79.58 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.2 t -84.86 146.55 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.149 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.82 105.81 16.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 55.47 -178.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.776 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.58 -41.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.8 t0 56.52 -179.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -111.95 170.16 8.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.3 t -123.0 -34.85 3.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.136 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.29 -178.2 4.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -152.4 26.18 0.6 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.0 p -116.57 146.9 42.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.038 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.77 159.61 35.13 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 121.514 0.673 . . . . 0.0 111.219 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -175.44 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.634 2.223 . . . . 0.0 112.275 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.66 -43.98 5.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 -142.79 154.92 63.08 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.603 0.716 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 88.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.627 2.218 . . . . 0.0 112.348 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -82.85 -11.77 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 63.62 24.4 13.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.453 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -99.35 168.08 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.3 p -51.57 -45.3 63.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.5 p -54.79 -51.63 65.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -61.09 -41.46 96.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 26' ' ' THR . 93.1 t -61.68 -54.28 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.698 ' O ' HG23 ' A' ' 35' ' ' THR . . . -55.78 -52.0 51.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.487 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.35 94.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.551 HD11 ' HB ' ' A' ' 127' ' ' THR . 0.9 OUTLIER -62.97 -48.16 80.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.33 . . . . 0.0 110.903 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.586 HG21 ' CD2' ' A' ' 184' ' ' LEU . 6.2 mm -55.73 -43.86 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.053 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 31' ' ' GLY . 28.9 p -65.23 -43.06 92.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.062 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -59.41 -55.22 37.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.719 HG22 HD11 ' A' ' 41' ' ' ILE . 8.7 p -59.93 -36.02 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.059 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.665 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -60.74 -48.28 82.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.989 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -65.1 -41.61 94.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -62.16 -45.37 93.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.719 HD11 HG22 ' A' ' 37' ' ' VAL . 36.8 mt -62.69 -46.76 95.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 38' ' ' LEU . 87.4 t -58.51 -46.56 89.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -67.07 -43.2 83.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -31.96 73.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -51.24 21.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.48 -28.89 66.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.87 -33.81 70.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.502 HD23 ' HE3' ' A' ' 114' ' ' LYS . 19.8 mt -55.75 -38.03 69.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.901 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -94.83 37.99 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 58.67 32.4 22.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.981 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.4 36.62 91.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -92.27 109.89 21.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 64.2 p -57.29 -37.36 72.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.53 -34.1 66.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.08 -25.88 67.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 43.0 mtp -70.58 -41.92 71.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -112.48 38.46 2.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.976 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.27 -61.52 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.76 23.13 14.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -83.5 -26.24 30.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.68 -56.31 23.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.08 -39.13 56.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.52 -32.2 62.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -56.04 -26.19 47.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -128.5 35.62 4.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -151.17 35.72 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.79 142.88 33.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.05 -23.56 21.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.833 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mt -77.65 154.54 81.16 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.6 0.714 . . . . 0.0 110.989 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 141.2 44.64 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.666 2.244 . . . . 0.0 112.278 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -140.64 157.55 45.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.781 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 56.8 mt -90.45 135.91 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.04 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -117.01 65.26 0.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.16 -75.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -171.55 164.1 6.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -102.53 -64.74 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.58 113.43 0.66 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.522 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 19.9 m -138.85 102.26 4.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -171.75 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -76.03 -32.07 59.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.93 138.7 34.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.169 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -145.85 30.25 1.67 Allowed Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.516 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 52.17 39.22 26.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.935 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 57.66 68.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.1 -72.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 56.99 86.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 12.6 pt -116.85 -36.83 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 31.0 m 51.95 42.67 30.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.5 tp 72.41 -67.63 0.26 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.3 98.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -135.67 52.47 2.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.966 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 80.6 mt -95.81 -23.9 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.7 t -71.07 -40.23 71.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.0 t -53.76 -52.35 60.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.95 -48.44 60.53 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.22 -54.66 32.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 110.843 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.802 HD22 ' HG2' ' A' ' 145' ' ' PRO . 0.6 OUTLIER -60.27 -49.17 78.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -53.55 -56.29 18.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.403 ' HB3' HD13 ' A' ' 176' ' ' LEU . 21.3 m-85 -54.5 -46.46 73.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.82 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -54.22 -47.32 72.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 p -63.57 -39.11 93.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.612 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.7 m-85 -60.91 -64.55 0.92 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 pp -54.19 -40.94 68.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.89 -31.92 73.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.751 ' CD1' HG22 ' A' ' 154' ' ' THR . 4.9 t80 -70.64 -49.77 43.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 9.7 ptm -72.94 -25.85 61.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.459 ' HA ' HD12 ' A' ' 110' ' ' LEU . 1.7 tmtm? -64.49 -30.57 71.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.788 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -60.08 -43.57 95.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -117.33 91.76 3.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.684 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.0 mt -146.83 178.11 8.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -78.8 -176.04 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -63.85 -51.06 66.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -69.49 -48.44 60.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.684 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.0 mmtm -55.75 -39.77 71.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -68.06 -49.76 59.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.95 -47.81 64.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -38.35 74.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.42 -43.99 75.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -55.68 -39.49 71.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 99.4 t -72.59 -38.55 59.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.459 HD11 HG13 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -66.06 -51.24 59.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.949 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -63.66 -44.37 94.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -57.63 -52.88 63.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.782 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -57.2 -47.62 80.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.636 HG22 ' CD1' ' A' ' 129' ' ' ILE . 23.3 m -53.89 -50.19 66.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -62.15 -34.48 76.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.551 ' HB ' HD11 ' A' ' 33' ' ' LEU . 20.5 m -65.78 -56.22 13.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.502 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -61.88 -32.84 73.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.636 ' CD1' HG22 ' A' ' 125' ' ' THR . 67.4 mt -71.27 -37.81 67.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.109 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.23 -40.76 74.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 65.7 mt -68.02 -50.08 62.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.537 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.5 m-85 -62.78 -48.55 78.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -62.37 -39.2 92.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -61.74 -53.72 52.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -59.02 -51.64 69.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 132' ' ' PHE . 85.2 t -60.35 -35.14 60.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -67.38 -41.49 84.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -71.31 -33.06 69.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.808 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.32 -31.52 43.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -162.96 167.97 21.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.772 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -66.1 -179.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.437 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.62 144.48 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.437 ' N ' HD13 ' A' ' 142' ' ' ILE . 6.4 m -115.59 145.68 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.99 141.72 75.26 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.607 0.718 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.802 ' HG2' HD22 ' A' ' 97' ' ' LEU . 53.9 Cg_endo -69.84 -48.14 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.574 2.183 . . . . 0.0 112.296 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.4 m 64.84 68.21 0.77 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.589 0.709 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 151.12 69.27 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.768 2.312 . . . . 0.0 112.334 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.5 tt -117.45 -15.91 8.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.69 -40.1 59.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -51.13 -49.48 60.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.26 -53.99 46.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.058 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.6 mp -51.74 -52.27 49.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.22 -64.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.751 HG22 ' CD1' ' A' ' 105' ' ' TYR . 57.2 p -51.77 -32.87 32.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -66.34 -36.03 81.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.24 169.02 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 60.08 89.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -110.91 -74.47 0.64 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.5 t -179.12 -73.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.02 176.02 6.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.975 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 52.72 53.64 11.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -84.18 147.42 27.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . 0.418 ' HB3' HD12 ' A' ' 164' ' ' LEU . 0.2 OUTLIER 63.1 -177.26 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.418 HD12 ' HB3' ' A' ' 163' ' ' TRP . 4.1 mp 56.08 65.77 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 5.4 ptt85 -67.23 -28.04 67.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.91 -26.58 6.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.35 -68.95 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.4 m -48.54 -45.09 36.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.5 mm -62.91 -45.4 98.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -63.39 -31.19 72.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.015 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -55.31 8.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.612 HD12 ' HB3' ' A' ' 102' ' ' TYR . 13.5 pt -59.29 -39.21 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 57.3 mt -67.65 -47.2 70.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -49.99 75.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 53.4 m -62.43 -41.9 99.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.403 HD13 ' HB3' ' A' ' 99' ' ' TYR . 11.4 tp -57.3 -51.23 70.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.51 ' HA ' HD12 ' A' ' 180' ' ' LEU . 7.3 tt0 -60.73 -56.45 21.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 182' ' ' VAL . 3.1 mt-10 -52.94 -46.66 68.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.58 -38.94 89.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 177' ' ' GLU . 13.9 mt -61.32 -62.18 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -51.87 -46.5 64.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 178' ' ' GLU . 77.2 t -60.98 -49.72 83.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 52.3 m -51.79 -52.61 47.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.185 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.586 ' CD2' HG21 ' A' ' 34' ' ' ILE . 4.1 tp -59.06 -46.65 87.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 57.2 ttm-85 -60.54 -28.86 68.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 41.5 t -75.82 -51.73 11.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.794 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.2 t -62.36 -28.87 70.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 6.8 mtm-85 -54.68 150.49 9.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -84.18 -18.25 37.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 41.2 p . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 -179.88 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.816 0.341 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -139.15 97.56 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.2 p -116.82 138.43 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.058 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -163.43 89.46 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -110.37 177.25 4.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.12 50.63 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.515 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -156.52 60.91 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.868 0.366 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -136.03 163.74 29.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.3 t -118.02 -42.15 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.108 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.09 -178.4 0.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.36 29.48 15.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 t -151.53 149.73 29.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.231 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.08 159.53 72.01 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.636 0.731 . . . . 0.0 111.105 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -171.26 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.705 2.27 . . . . 0.0 112.372 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -120.25 -37.3 3.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.48 157.25 18.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 90.12 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.4 HG12 HG23 ' A' ' 26' ' ' THR . 34.6 t -90.64 -16.78 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 63.52 26.03 14.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.4 HG23 HG12 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -94.55 162.75 13.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -51.61 -47.43 63.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.68 -51.56 54.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.933 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -60.59 -39.98 90.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.1 t -63.42 -54.18 36.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.069 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.703 ' O ' HG23 ' A' ' 35' ' ' THR . . . -55.59 -51.89 51.76 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.84 -38.0 95.26 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.55 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.654 ' O ' HG12 ' A' ' 37' ' ' VAL . 0.9 OUTLIER -67.23 -43.88 80.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.703 0.287 . . . . 0.0 110.912 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.648 ' CD1' HD22 ' A' ' 184' ' ' LEU . 75.6 mt -63.73 -37.9 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.111 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 31' ' ' GLY . 70.6 p -68.28 -46.41 70.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -60.68 -55.25 35.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.742 HG22 HD11 ' A' ' 41' ' ' ILE . 7.3 p -59.45 -39.04 78.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.9 mt -58.55 -48.75 79.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -63.31 -44.45 94.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.32 -44.71 95.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.963 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.742 HD11 HG22 ' A' ' 37' ' ' VAL . 29.7 mt -61.28 -48.1 90.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 38' ' ' LEU . 85.1 t -56.6 -52.64 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.49 -43.77 84.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.8 ttt -66.91 -31.88 72.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.503 ' HA ' HD13 ' A' ' 173' ' ' LEU . 53.9 ttp85 -73.42 -51.29 17.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.54 -28.55 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -53.9 -43.17 69.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mp -54.08 -28.73 41.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.3 31.36 2.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 t30 57.43 27.24 13.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.76 43.21 99.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -85.49 105.69 16.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 110.806 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.5 p -53.37 -29.9 36.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.38 -33.73 58.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.8 t -59.65 -27.77 66.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.0 mtp -70.47 -38.37 74.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -109.98 26.26 10.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -82.69 -62.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.55 36.28 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.93 26.3 4.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.46 -27.67 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.51 -33.84 4.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.013 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.04 -41.6 83.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.997 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -60.03 -31.51 70.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -106.52 28.98 7.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.74 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -144.0 26.3 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.45 138.8 34.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.39 -25.66 16.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.42 HD23 ' CE1' ' A' ' 99' ' ' TYR . 8.7 mp -64.03 160.71 45.39 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.656 0.741 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 137.24 34.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.739 2.292 . . . . 0.0 112.283 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -147.78 124.32 11.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.473 ' HB ' HG11 ' A' ' 182' ' ' VAL . 4.3 mt -55.06 143.45 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.37 51.77 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.67 161.85 38.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.847 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -168.51 42.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -176.98 123.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.7 -175.76 18.91 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.453 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.9 t 60.81 94.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.377 . . . . 0.0 110.933 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -124.68 138.49 54.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.835 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.24 133.22 44.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.9 t -108.18 -26.46 10.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -147.99 -96.87 0.18 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.439 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -120.69 -58.56 1.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.943 0.401 . . . . 0.0 110.964 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -145.93 49.15 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -99.26 -179.02 4.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 62.55 169.95 0.13 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.6 tt -125.24 144.9 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.26 127.57 14.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.4 mt -75.65 172.94 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.41 -65.07 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.5 mttm 57.97 38.1 26.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 60.4 mt -106.62 -29.31 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.649 ' OG ' HD12 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -62.25 -49.37 75.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.7 p -56.71 -52.08 66.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.785 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.67 -51.74 56.18 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.411 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.18 -45.56 92.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.883 0.373 . . . . 0.0 110.923 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.67 HD13 HD21 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -60.34 -44.9 95.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.531 ' N ' HD23 ' A' ' 97' ' ' LEU . 44.7 mt-10 -59.65 -51.13 71.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.42 ' CE1' HD23 ' A' ' 69' ' ' LEU . 23.5 m-85 -56.44 -48.24 77.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -56.63 -47.23 80.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.7 m -64.04 -34.3 77.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.789 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.3 m-85 -64.98 -61.95 1.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.964 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 104' ' ' GLU . 1.8 pp -56.15 -41.82 76.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.513 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.0 OUTLIER -65.52 -35.83 82.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.588 ' CE1' HG22 ' A' ' 154' ' ' THR . 13.1 t80 -70.15 -52.06 26.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.974 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.634 ' HE1' HD11 ' A' ' 110' ' ' LEU . 4.7 ppp? -67.07 -26.76 66.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -64.74 -30.89 71.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -59.93 -37.0 78.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.51 96.96 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.682 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.2 mt -148.16 175.28 11.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -75.85 -178.89 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -60.14 -51.22 70.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -73.07 -47.34 45.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.682 ' CB ' HD22 ' A' ' 110' ' ' LEU . 1.1 mmmp? -55.66 -36.29 66.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -67.78 -50.07 58.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.95 -46.78 75.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -71.04 -40.12 71.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.962 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.99 -44.34 74.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.75 -49.7 72.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.5 t -60.66 -42.3 91.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -50.02 75.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.506 ' HA ' HD13 ' A' ' 103' ' ' LEU . 11.7 tm0? -59.31 -48.52 81.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -53.78 -53.15 56.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -55.72 -48.12 75.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.0 m -58.21 -49.37 77.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -54.88 -45.58 74.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.3 m -61.28 -54.52 42.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.149 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.627 HD23 ' N ' ' A' ' 129' ' ' ILE . 0.2 OUTLIER -54.36 -51.9 63.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.627 ' N ' HD23 ' A' ' 128' ' ' LEU . 60.6 mt -59.5 -36.5 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -62.8 -47.88 81.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 64.8 mt -62.53 -53.16 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -59.57 -50.05 75.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -58.51 -36.94 74.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -64.64 -50.12 68.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.6 -52.5 65.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.5 m -62.96 -32.07 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.16 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -66.98 -42.8 84.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -76.05 -27.53 57.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.53 -5.73 46.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 66.19 31.17 8.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -140.39 84.62 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.933 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.437 HD12 ' H ' ' A' ' 143' ' ' VAL . 6.1 tp -171.82 140.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.062 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.437 ' H ' HD12 ' A' ' 142' ' ' ILE . 6.0 m -153.09 147.91 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.67 HD21 HD13 ' A' ' 97' ' ' LEU . 6.3 tt -150.41 135.48 9.91 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.616 0.722 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.647 ' N ' HD23 ' A' ' 144' ' ' LEU . 54.9 Cg_endo -69.66 -86.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.244 . . . . 0.0 112.424 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -179.22 158.76 0.93 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.504 0.668 . . . . 0.0 111.179 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.505 ' HD2' HG22 ' A' ' 146' ' ' THR . 53.5 Cg_endo -69.76 115.8 4.26 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.676 2.25 . . . . 0.0 112.269 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.418 ' O ' HD13 ' A' ' 152' ' ' LEU . 0.9 OUTLIER -124.59 -36.35 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.2 m -58.97 -47.36 85.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.807 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -51.58 -48.04 63.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -57.0 -52.79 63.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.418 HD13 ' O ' ' A' ' 148' ' ' ILE . 9.5 mp -51.53 -56.06 15.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.415 HD11 HG21 ' A' ' 168' ' ' THR . 3.7 mm? -52.27 -63.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.588 HG22 ' CE1' ' A' ' 105' ' ' TYR . 78.8 p -51.06 -32.93 23.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.32 -31.46 54.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 8.2 tttp 60.55 97.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -104.12 136.37 43.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.95 179.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.908 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.49 75.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.21 -75.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -168.37 -58.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.52 161.85 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.815 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 22.5 p-90 -147.3 100.34 3.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 33.3 mt -101.0 73.63 1.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -33.41 72.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.78 -26.5 5.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -69.58 -69.07 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.778 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . 0.415 HG21 HD11 ' A' ' 153' ' ' LEU . 95.4 m -48.51 -44.83 36.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.222 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.1 -45.7 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.17 -32.22 73.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -55.13 10.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.789 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.7 pt -60.22 -36.12 66.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 45' ' ' ARG . 25.1 mt -67.26 -55.61 13.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -54.41 -46.55 73.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.986 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 3.6 t -61.45 -46.56 89.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.8 tp -54.32 -56.89 13.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.04 -52.89 61.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.548 ' O ' HG23 ' A' ' 182' ' ' VAL . 0.2 OUTLIER -54.33 -45.13 72.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -62.04 -37.28 84.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 2.6 mt -63.95 -59.49 4.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.03 -43.94 70.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 178' ' ' GLU . 71.1 t -64.51 -52.8 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 52.1 m -50.34 -44.83 54.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.648 HD22 ' CD1' ' A' ' 34' ' ' ILE . 4.5 tp -67.18 -45.48 76.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -25.17 66.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 47.6 t -82.35 -50.84 8.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.447 HG22 ' HA ' ' A' ' 184' ' ' LEU . 10.8 t -65.55 -14.49 61.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.176 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.75 -30.13 70.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 63.14 16.71 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.86 0.362 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -114.7 89.89 3.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 p -106.32 141.5 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.061 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 ttm-85 -108.12 66.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 55.47 -178.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.76 -19.96 9.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.472 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -108.88 172.06 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.923 0.392 . . . . 0.0 110.795 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -109.95 -177.2 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.768 HG21 HG21 ' A' ' 35' ' ' THR . 9.0 t -119.42 -33.68 4.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.15 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -54.73 157.86 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -167.44 45.76 0.05 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 p 47.07 90.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.28 159.68 2.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.699 . . . . 0.0 111.059 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -179.93 3.25 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.707 2.272 . . . . 0.0 112.375 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -82.28 -23.96 34.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.28 157.09 76.21 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 111.03 2.69 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.616 2.211 . . . . 0.0 112.314 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -91.7 -15.64 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 63.32 25.45 14.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.012 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -93.83 166.86 11.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.15 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 p -51.5 -45.88 63.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 p -52.95 -51.92 59.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -40.14 89.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 26' ' ' THR . 92.2 t -63.59 -54.36 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.632 ' O ' HG23 ' A' ' 35' ' ' THR . . . -54.54 -52.23 46.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.54 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.5 -37.96 95.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.415 ' CD1' HG21 ' A' ' 127' ' ' THR . 1.0 OUTLIER -66.92 -50.85 61.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.957 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.571 ' CD1' HD23 ' A' ' 184' ' ' LEU . 78.1 mt -57.2 -41.78 78.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.768 HG21 HG21 ' A' ' 15' ' ' THR . 81.9 p -65.17 -45.96 82.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -57.15 -55.42 35.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.73 HG22 HD11 ' A' ' 41' ' ' ILE . 9.3 p -59.96 -35.83 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.224 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.664 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.9 OUTLIER -59.82 -48.43 81.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -65.55 -42.12 92.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.06 -45.66 93.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.73 HD11 HG22 ' A' ' 37' ' ' VAL . 36.4 mt -62.46 -50.09 81.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 38' ' ' LEU . 88.2 t -54.01 -54.37 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.182 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -57.75 -43.63 85.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.6 ttt -64.57 -31.8 73.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -69.74 -51.27 35.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -70.99 -28.47 64.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.35 -31.6 63.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.1 mt -58.45 -35.23 71.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 79.7 m -95.9 37.2 1.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 56.8 30.79 18.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.43 35.62 91.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -88.73 119.24 29.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.822 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.4 -33.55 74.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.77 -42.16 88.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.11 -29.86 65.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 30.6 mtp -70.19 -29.63 66.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -117.32 28.6 8.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.65 -58.14 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.49 23.56 13.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -105.13 26.31 9.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -102.79 -39.23 7.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.77 -28.79 8.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.16 -31.41 61.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.041 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -55.92 -27.94 54.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.842 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -124.18 37.42 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -149.32 28.12 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.43 134.17 39.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.951 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.26 -26.63 30.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.52 HD23 ' CE1' ' A' ' 99' ' ' TYR . 8.6 mp -66.77 160.72 66.82 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 101.82 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.66 2.24 . . . . 0.0 112.378 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.69 146.03 40.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.441 HG13 HG11 ' A' ' 182' ' ' VAL . 17.0 pt -119.76 163.87 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.098 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -135.4 -72.91 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -179.22 116.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -160.01 -59.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.24 169.16 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 167.71 55.17 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.494 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 7.7 p -175.51 48.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -135.16 155.03 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 60.43 85.1 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.984 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.73 149.72 34.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.058 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 138.51 -75.71 0.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -80.69 92.14 5.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.941 0.401 . . . . 0.0 110.991 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.3 m120 62.3 165.08 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.42 115.72 11.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.56 145.77 35.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.7 tt -52.56 147.46 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.16 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 4.1 t -120.1 -36.59 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.58 96.6 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -172.2 155.36 3.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.0 tttt 59.23 -172.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mt 71.03 -69.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.9 -49.32 59.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.6 t -54.04 -52.59 60.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.44 -49.64 72.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.54 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -51.93 -48.3 64.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.622 HD13 HD13 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -61.77 -49.45 76.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.818 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.81 -51.26 68.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.52 ' CE1' HD23 ' A' ' 69' ' ' LEU . 24.3 m-85 -57.21 -47.11 82.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -54.19 -49.26 69.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.6 t -62.71 -37.16 85.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.704 ' HB3' HD12 ' A' ' 172' ' ' ILE . 11.7 m-85 -61.45 -64.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.3 pp -54.63 -39.04 67.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.513 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.5 mm-40 -64.31 -36.66 84.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -69.39 -51.83 32.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.953 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.7 ptm -66.01 -32.76 74.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -26.24 67.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -63.39 -36.98 85.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -126.91 96.99 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.594 HD13 ' HB3' ' A' ' 114' ' ' LYS . 9.0 mt -149.0 174.31 12.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -75.97 -176.24 3.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.85 -51.1 69.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -71.52 -47.49 54.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.594 ' HB3' HD13 ' A' ' 110' ' ' LEU . 20.3 mmtm -55.82 -39.1 70.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.04 -49.11 66.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.16 -49.87 68.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -69.6 -39.66 77.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.823 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.86 -43.71 73.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.022 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -55.75 -49.31 73.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.1 t -61.69 -42.62 95.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.408 HD21 HG12 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -57.43 -48.4 79.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -62.25 -48.98 77.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 32.6 ttm-85 -53.92 -53.25 55.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -56.65 -50.6 71.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.697 HG22 HD12 ' A' ' 129' ' ' ILE . 32.8 m -52.25 -43.94 64.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -68.23 -33.75 74.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.415 HG21 ' CD1' ' A' ' 33' ' ' LEU . 7.0 m -65.63 -56.75 10.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.442 HD12 HG13 ' A' ' 129' ' ' ILE . 0.6 OUTLIER -61.69 -43.12 99.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.697 HD12 HG22 ' A' ' 125' ' ' THR . 75.5 mt -64.33 -35.18 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.177 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -71.23 -40.47 71.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 21.4 mt -66.21 -49.3 77.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.157 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.549 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.5 m-85 -65.14 -49.02 71.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -58.41 -42.82 88.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -63.21 -53.99 44.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -57.31 -49.78 75.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 132' ' ' PHE . 87.6 t -63.57 -33.82 63.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.199 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -69.01 -36.48 77.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -73.28 -43.29 61.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.802 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.9 mt -72.38 -58.01 3.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.966 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -123.69 -169.84 2.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.43 176.61 5.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.6 tp -176.06 146.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 10.8 m -142.87 179.88 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.231 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.622 HD13 HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -177.71 137.51 0.39 Allowed Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 121.574 0.702 . . . . 0.0 110.951 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 -85.88 0.0 OUTLIER 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.699 2.266 . . . . 0.0 112.294 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 179.51 147.63 0.43 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.557 0.694 . . . . 0.0 111.141 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 143.27 49.76 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.309 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 15.1 tt -116.22 -21.82 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 7.4 m -51.79 -35.57 44.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . 0.409 ' O ' HG23 ' A' ' 154' ' ' THR . 13.8 t-20 -51.81 -50.65 60.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.03 93.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 25.1 mt -58.66 -64.58 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 13.6 mt -51.76 -54.3 30.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 150' ' ' ASN . 68.7 p -55.86 -32.93 64.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -72.0 -26.61 62.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -58.23 -61.71 2.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.48 176.5 10.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -118.53 -33.57 4.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.64 153.16 31.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 59.1 66.27 1.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.62 54.16 1.94 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -111.51 50.41 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 16.7 p-90 -107.06 -27.09 10.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 9.7 tp -167.29 32.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -80.24 -29.83 38.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.8 -26.61 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -69.54 -68.86 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.7 m -48.44 -44.78 35.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.38 -46.13 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.182 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.97 -31.35 72.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.975 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.65 -55.01 9.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.704 HD12 ' HB3' ' A' ' 102' ' ' TYR . 17.4 pt -60.28 -37.05 72.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.053 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.2 -54.9 16.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -55.21 -47.72 74.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 4.8 t -59.5 -47.88 83.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.646 HD12 HD13 ' A' ' 180' ' ' LEU . 8.8 tp -54.01 -55.74 24.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.507 ' CD ' HG22 ' A' ' 42' ' ' VAL . 7.9 tt0 -54.0 -57.12 12.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.698 ' O ' HG23 ' A' ' 182' ' ' VAL . 5.7 mm-40 -53.67 -40.12 65.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -60.69 -52.07 66.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.646 HD13 HD12 ' A' ' 176' ' ' LEU . 7.1 mp -56.7 -43.59 80.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . 0.598 ' HG2' HD11 ' A' ' 38' ' ' LEU . 1.8 mtmp? -59.73 -50.15 74.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.99 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 178' ' ' GLU . 46.1 t -61.01 -49.61 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 21.5 m -57.03 -39.15 74.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.571 HD23 ' CD1' ' A' ' 34' ' ' ILE . 3.4 tm? -65.47 -55.99 14.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -62.58 -24.88 67.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 9.2 t -74.16 -48.04 31.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 12.5 t -72.03 -26.51 62.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -78.06 156.77 29.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.8 -20.85 59.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 20.4 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 -179.842 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.825 0.345 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.78 96.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.2 p -99.43 141.21 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -135.57 114.9 12.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -130.18 178.29 6.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.75 -19.79 2.0 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.99 135.44 57.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -113.84 176.65 4.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.7 t -120.91 -32.94 3.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.102 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.97 147.62 6.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -161.6 33.75 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.7 p -89.34 161.89 16.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -103.41 159.66 28.6 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 121.646 0.736 . . . . 0.0 111.038 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 -179.28 2.84 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.6 2.2 . . . . 0.0 112.366 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -151.94 46.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 61.71 160.86 0.11 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.6 78.76 0.94 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.76 2.306 . . . . 0.0 112.376 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.59 -13.01 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 63.48 24.87 14.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.49 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -94.73 161.61 14.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -51.58 -47.98 63.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.6 -51.41 55.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -61.24 -38.68 87.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 26' ' ' THR . 96.0 t -62.62 -54.25 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.44 -52.04 54.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.44 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.84 -40.8 95.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.804 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -65.71 -37.81 87.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.782 0.325 . . . . 0.0 110.94 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.658 HG21 ' CD2' ' A' ' 184' ' ' LEU . 14.4 mm -63.99 -53.48 43.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.6 t -60.71 -37.97 83.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.189 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -63.02 -55.71 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.823 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.614 HG22 HD11 ' A' ' 41' ' ' ILE . 13.4 p -61.27 -32.08 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.041 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -64.61 -48.28 75.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.936 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.5 t90 -64.59 -44.69 89.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.529 ' OE2' HG21 ' A' ' 120' ' ' VAL . 1.3 mt-10 -58.78 -46.5 87.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.614 HD11 HG22 ' A' ' 37' ' ' VAL . 45.6 mt -61.83 -47.68 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 38' ' ' LEU . 99.1 t -56.05 -43.17 74.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -68.11 -41.92 81.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -32.26 73.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -49.35 22.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -70.06 -28.96 65.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -55.03 -34.27 63.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.69 -33.94 76.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.25 27.73 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.05 36.56 21.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.83 43.84 94.53 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.566 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -86.94 125.76 34.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.0 p -67.17 -39.31 86.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -35.77 80.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 m -57.91 -27.3 63.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.2 mtp -69.1 -47.56 64.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.817 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -104.49 33.64 3.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -85.89 -58.17 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.94 22.93 14.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.816 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -98.73 33.27 2.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.5 -32.47 5.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.18 -29.42 5.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.62 -32.63 65.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -58.35 -27.47 64.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -114.9 31.98 6.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -148.98 30.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.458 HD22 ' OG ' ' A' ' 175' ' ' SER . 0.3 OUTLIER -101.27 153.55 19.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.74 -25.97 13.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.469 HD23 ' HE1' ' A' ' 99' ' ' TYR . 8.7 mp -64.1 160.67 46.33 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.595 0.712 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 140.21 42.19 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.598 2.199 . . . . 0.0 112.404 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -146.21 141.65 27.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.2 mt -72.16 139.72 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -129.72 -39.75 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.994 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.21 -75.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 53.02 84.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.812 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.61 177.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.56 176.31 17.62 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 26.1 p -146.39 131.66 18.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -149.3 28.93 0.8 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.961 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -122.65 38.37 4.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.92 114.16 22.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.4 -153.66 52.1 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.418 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -131.17 -42.32 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.919 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -116.2 45.07 1.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.75 -68.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 58.47 60.1 2.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.812 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 10.3 pt -144.68 172.0 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 8.6 m -145.59 -66.82 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -176.14 160.17 2.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 tp -173.86 127.2 0.38 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.64 98.72 4.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.2 mt -118.4 -29.6 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 p -68.14 -43.99 77.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -52.3 61.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.876 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.56 -51.06 60.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.571 HD22 HG12 ' A' ' 129' ' ' ILE . 19.5 mt -53.67 -52.29 60.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.887 0.375 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.568 HD22 ' CG ' ' A' ' 145' ' ' PRO . 0.2 OUTLIER -57.02 -47.67 80.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -53.57 46.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.469 ' HE1' HD23 ' A' ' 69' ' ' LEU . 19.8 m-85 -57.78 -44.93 86.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -57.16 -47.05 82.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.794 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -35.94 82.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.751 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.6 m-85 -63.22 -62.11 1.91 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 pp -57.01 -42.21 79.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.27 -31.31 72.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -70.7 -52.19 22.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.5 ptm -71.19 -27.89 63.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.59 ' HA ' HD12 ' A' ' 110' ' ' LEU . 2.0 tmtm? -56.17 -37.76 70.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -59.85 -41.03 90.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.01 87.05 2.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.696 HD22 ' CB ' ' A' ' 114' ' ' LYS . 8.0 mt -149.09 178.03 9.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -82.41 -175.85 5.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.74 -51.31 67.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -65.68 -51.87 56.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.696 ' CB ' HD22 ' A' ' 110' ' ' LEU . 22.4 mmtm -55.7 -33.85 64.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -50.93 61.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -45.31 86.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -70.6 -32.85 70.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.5 -36.25 80.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -65.37 -50.75 64.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.529 HG21 ' OE2' ' A' ' 40' ' ' GLU . 6.4 p -63.69 -38.66 82.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.29 -49.16 75.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.65 -49.79 76.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.3 mtp85 -54.74 -53.07 59.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -54.47 -47.29 73.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.544 HG22 ' CD1' ' A' ' 129' ' ' ILE . 6.5 m -58.93 -50.09 75.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -56.45 -37.17 69.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 89.1 m -66.34 -56.48 10.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.169 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.804 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -58.1 -31.27 66.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.965 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.571 HG12 HD22 ' A' ' 96' ' ' LEU . 76.7 mt -73.47 -41.3 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -44.79 93.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 7.4 mt -68.31 -53.24 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.623 ' O ' HG23 ' A' ' 136' ' ' VAL . 5.3 m-85 -57.26 -50.11 73.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -62.96 -39.18 93.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -56.82 -52.84 63.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.35 -52.54 61.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 132' ' ' PHE . 94.9 t -53.55 -42.16 48.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -69.24 -37.83 78.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -72.17 -19.99 61.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.792 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.44 1.4 29.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 65.74 33.45 8.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.57 79.29 1.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.5 tp -139.95 143.43 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 144' ' ' LEU . 3.0 t -114.05 160.93 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.405 ' N ' HG12 ' A' ' 143' ' ' VAL . 0.2 OUTLIER -80.15 141.56 54.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.683 0.754 . . . . 0.0 110.892 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.568 ' CG ' HD22 ' A' ' 97' ' ' LEU . 53.8 Cg_endo -69.74 -48.75 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.726 2.284 . . . . 0.0 112.368 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.6 m 62.38 68.03 1.11 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.551 0.691 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 123.17 9.84 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.749 2.3 . . . . 0.0 112.364 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.1 tt -131.78 -39.1 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.211 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -40.64 61.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -50.76 -51.02 54.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.3 -46.17 76.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 18.1 mt -55.97 -55.52 31.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.568 HD11 HG21 ' A' ' 168' ' ' THR . 4.0 mm? -53.5 -62.58 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.954 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 69.6 p -52.56 -32.85 43.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -69.33 -33.53 73.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -75.15 130.17 38.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.08 139.33 35.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -140.12 178.66 7.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 10.4 p -84.95 136.86 33.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.804 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 60.34 177.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -121.94 60.17 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -174.37 97.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -153.87 -61.62 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -164.14 35.4 0.08 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -80.98 -27.91 35.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.979 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.8 -26.44 5.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.16 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -69.47 -69.09 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . 0.568 HG21 HD11 ' A' ' 153' ' ' LEU . 85.7 m -48.54 -45.46 37.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.0 mm -62.33 -46.17 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -62.46 -32.53 73.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -55.16 11.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.751 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.4 pt -60.49 -36.02 66.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.07 -51.72 50.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -58.99 -44.95 91.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.458 ' OG ' HD22 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -61.83 -44.57 96.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.412 HD22 ' HB3' ' A' ' 99' ' ' TYR . 9.0 tp -58.68 -58.06 10.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.11 -56.0 19.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.593 ' O ' HG13 ' A' ' 182' ' ' VAL . 8.1 mm-40 -55.73 -39.99 71.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -66.45 -30.55 70.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.426 ' HB3' HD21 ' A' ' 38' ' ' LEU . 57.5 mt -72.05 -51.8 19.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.9 -44.45 91.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 178' ' ' GLU . 18.6 m -69.2 -36.54 73.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.5 m -60.9 -48.6 81.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.149 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.658 ' CD2' HG21 ' A' ' 34' ' ' ILE . 4.9 tp -69.52 -44.86 70.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -60.76 -28.88 69.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 8.5 t -82.61 -49.75 9.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.504 HG22 ' HA ' ' A' ' 184' ' ' LEU . 5.0 t -63.63 -15.78 59.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . 0.445 HH21 HG23 ' A' ' 190' ' ' THR . 4.4 mtm-85 -63.15 177.0 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -96.65 -18.26 19.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.445 HG23 HH21 ' A' ' 188' ' ' ARG . 9.1 t . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.706 0.289 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -170.54 128.41 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.6 p -71.69 135.61 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.21 149.21 48.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -143.41 161.55 38.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 178.39 46.45 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.469 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -56.39 147.74 20.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -125.91 163.57 22.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 t -116.82 -24.24 7.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.187 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -51.92 141.79 16.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -172.96 42.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.1 p -75.99 -178.1 4.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -91.36 159.64 38.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.724 . . . . 0.0 111.182 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 176.82 6.19 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.712 2.275 . . . . 0.0 112.374 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -155.22 53.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 63.57 153.92 0.12 Allowed Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.683 0.754 . . . . 0.0 110.813 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 108.7 2.13 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.552 HG13 HG23 ' A' ' 26' ' ' THR . 9.0 p -108.3 -20.4 6.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 64.7 47.16 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.552 HG23 HG13 ' A' ' 24' ' ' VAL . 71.1 p -119.79 158.94 25.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.167 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.74 -35.56 32.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -45.64 70.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.51 -51.16 70.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.415 HG23 ' N ' ' A' ' 31' ' ' GLY . 21.3 m -61.5 -42.58 94.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.415 ' N ' HG23 ' A' ' 30' ' ' VAL . . . -58.19 -52.42 52.66 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.558 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.26 -38.01 95.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.521 HD21 ' O ' ' A' ' 124' ' ' ASP . 1.3 tt -68.05 -34.28 76.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.339 . . . . 0.0 110.963 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.733 HG21 ' HG ' ' A' ' 184' ' ' LEU . 13.2 mm -69.11 -49.01 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 t -63.86 -40.43 96.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.187 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -65.17 -55.37 19.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.52 HG22 HD11 ' A' ' 41' ' ' ILE . 9.6 p -59.85 -32.87 50.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.559 ' O ' HG23 ' A' ' 42' ' ' VAL . 10.5 mt -65.77 -48.66 71.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -62.92 -41.94 99.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -62.58 -46.07 90.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.52 HD11 HG22 ' A' ' 37' ' ' VAL . 34.8 mt -59.51 -47.69 89.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 38' ' ' LEU . 84.1 t -58.21 -55.35 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -59.37 -44.45 92.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.7 ttt -63.72 -31.7 72.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -51.33 32.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.813 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -70.43 -28.31 64.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.09 -30.83 64.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.415 HD23 ' HE3' ' A' ' 114' ' ' LYS . 26.1 mt -58.36 -34.14 70.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 92.5 m -95.52 35.81 1.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 t30 60.23 28.05 17.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.03 39.92 97.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -94.74 112.4 24.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 t -55.47 -26.84 44.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.785 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -63.15 -42.6 99.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.2 t -58.03 -35.47 71.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 19.9 mtp -54.98 -39.69 69.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -120.22 31.84 6.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -85.3 -63.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.71 27.7 6.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.8 27.66 3.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.9 -31.93 9.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.14 -35.47 4.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.969 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.424 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -52.88 -28.72 24.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -57.17 -26.18 60.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -125.46 30.41 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -143.74 25.89 1.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.631 HD22 HD12 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -96.25 -47.96 5.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.03 23.04 9.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.631 HD12 HD22 ' A' ' 67' ' ' LEU . 20.2 mt -84.19 159.26 59.83 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.635 0.731 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 78.96 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.63 2.22 . . . . 0.0 112.382 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -116.86 151.66 36.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.5 mt -64.82 114.67 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -146.86 158.48 43.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.963 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.19 89.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -79.14 139.78 37.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -103.9 -40.56 6.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.81 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.68 79.32 1.37 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.535 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.93 108.98 15.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 110.83 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -146.91 167.24 24.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -55.63 135.81 50.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.0 t -128.14 -39.17 1.75 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -143.91 -61.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.523 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -163.77 -41.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.337 . . . . 0.0 110.926 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -78.7 159.69 27.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -148.29 114.09 5.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -127.11 168.71 14.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 41.6 pt -63.95 149.96 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 9.4 m -106.54 26.27 10.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.1 mt 59.59 94.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.75 -32.32 9.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.0 mptt 55.82 73.8 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.8 mt -108.29 -24.56 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.071 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.473 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -70.85 -46.74 62.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.81 -179.833 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.5 p -53.83 -52.33 60.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.911 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.31 -49.73 71.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.6 mp -56.86 -45.17 82.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.371 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 93' ' ' SER . 0.3 OUTLIER -60.85 -49.31 77.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.2 -54.42 45.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -53.88 -48.13 70.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -54.34 -49.17 70.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.821 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.1 m -61.56 -35.53 78.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.739 ' HB3' HD12 ' A' ' 172' ' ' ILE . 24.7 m-85 -64.15 -64.45 0.88 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.603 HD13 ' HA ' ' A' ' 122' ' ' GLN . 2.3 pp -53.22 -38.75 63.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.577 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.9 OUTLIER -65.85 -39.27 90.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.708 ' CD2' HD13 ' A' ' 153' ' ' LEU . 34.3 t80 -67.56 -37.6 82.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.444 ' HG2' HD11 ' A' ' 110' ' ' LEU . 2.8 ttt -74.95 -37.72 61.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.806 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -25.95 64.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.974 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -59.93 -41.21 91.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -129.66 98.67 4.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.642 HD22 ' CB ' ' A' ' 114' ' ' LYS . 8.5 mt -147.23 176.69 9.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -82.1 -175.95 5.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.82 -51.26 68.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -69.17 -49.75 53.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.642 ' CB ' HD22 ' A' ' 110' ' ' LEU . 22.1 mmtm -55.65 -35.8 66.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.89 -48.91 64.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.34 -46.75 79.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -70.73 -42.29 70.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.4 -40.67 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -55.71 -43.32 76.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.2 t -73.03 -34.62 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.477 HD11 ' N ' ' A' ' 41' ' ' ILE . 0.5 OUTLIER -67.09 -50.72 60.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.603 ' HA ' HD13 ' A' ' 103' ' ' LEU . 1.6 pp0? -66.62 -44.22 82.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -58.19 -53.48 57.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.521 ' O ' HD21 ' A' ' 33' ' ' LEU . 9.3 m-20 -58.99 -48.76 80.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.666 HG22 HD12 ' A' ' 129' ' ' ILE . 90.7 m -52.99 -45.14 67.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -35.37 80.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.3 m -67.6 -56.56 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.1 pp -60.54 -37.11 80.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.666 HD12 HG22 ' A' ' 125' ' ' THR . 46.0 mt -70.16 -36.35 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -67.21 -44.51 79.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.7 mt -67.38 -52.12 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.439 ' O ' HG23 ' A' ' 136' ' ' VAL . 2.8 m-85 -58.51 -50.24 74.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -61.37 -40.57 94.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -59.5 -47.63 84.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -62.52 -52.29 64.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 132' ' ' PHE . 62.6 t -58.91 -41.33 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -69.16 -38.15 78.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -65.39 -37.24 86.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.894 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.9 tp -51.43 -36.19 42.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -165.63 -77.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.848 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 178.18 147.41 0.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.961 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.423 ' O ' HG13 ' A' ' 143' ' ' VAL . 3.9 tp -177.42 122.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.423 HG13 ' O ' ' A' ' 142' ' ' ILE . 2.8 m -155.41 140.42 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.129 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.59 85.22 0.3 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.752 0.787 . . . . 0.0 110.959 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -84.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.601 2.201 . . . . 0.0 112.381 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 41.8 p 47.19 67.42 4.48 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.599 0.714 . . . . 0.0 111.169 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 129.89 18.31 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.757 2.305 . . . . 0.0 112.357 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.4 tt -130.15 -39.29 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.5 p -50.53 -47.11 57.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . 0.446 ' O ' HG23 ' A' ' 154' ' ' THR . 10.8 t30 -54.49 -37.65 65.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.811 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.53 85.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 12.3 mt -61.85 -52.85 62.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.708 HD13 ' CD2' ' A' ' 105' ' ' TYR . 47.8 mt -59.55 -53.21 60.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 150' ' ' ASN . 69.4 p -59.75 -32.97 71.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -63.98 -38.17 90.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 61.06 82.37 0.17 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -61.34 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.82 134.71 40.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 29.6 t -161.23 133.09 5.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -148.53 -71.53 0.21 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -151.22 -55.82 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.1 179.25 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 52.92 83.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.6 pp -175.18 -41.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -30.38 71.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.765 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.52 -26.62 5.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.1 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -69.76 -68.74 0.39 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 94.5 m -48.2 -44.34 32.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 37.8 mm -63.04 -51.99 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -56.1 -31.68 63.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.53 -55.31 8.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.739 HD12 ' HB3' ' A' ' 102' ' ' TYR . 26.6 pt -62.35 -35.68 70.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.77 -52.82 32.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -58.49 -46.12 87.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 4.8 t -60.31 -51.66 68.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.809 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.2 tp -52.79 -57.0 11.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.428 ' HA ' HD12 ' A' ' 180' ' ' LEU . 1.7 tm-20 -51.76 -52.09 51.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.596 ' O ' HG13 ' A' ' 182' ' ' VAL . 2.8 mt-10 -57.09 -38.95 74.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.426 ' HA ' HG22 ' A' ' 182' ' ' VAL . 25.0 t80 -68.89 -30.29 68.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 177' ' ' GLU . 4.6 mt -72.46 -47.51 48.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -63.5 -45.19 91.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 178' ' ' GLU . 21.1 m -67.38 -36.49 76.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.488 ' O ' HG22 ' A' ' 187' ' ' THR . 18.8 m -71.81 -35.05 69.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.733 ' HG ' HG21 ' A' ' 34' ' ' ILE . 1.3 tm? -71.76 -42.49 67.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -74.38 -32.59 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.82 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 27.2 t -71.56 -52.1 19.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 183' ' ' THR . 13.8 t -63.92 -25.04 67.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -79.09 85.57 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.761 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.49 -20.06 10.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.238 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.727 0.298 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -106.59 56.65 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.9 p -108.46 140.73 25.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -111.1 134.5 52.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 55.54 -178.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.84 -41.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.409 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.4 t0 53.13 79.48 0.12 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -150.49 162.94 39.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.5 t -120.17 -42.29 2.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.168 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 58.94 -179.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -167.23 29.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 p 53.07 -174.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.66 159.65 33.48 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.562 0.696 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -170.97 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.661 2.24 . . . . 0.0 112.294 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -111.36 34.58 4.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -116.1 73.96 5.25 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.584 0.707 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 79.43 0.97 Allowed 'Trans proline' 0 C--N 1.34 0.119 0 C-N-CA 122.709 2.273 . . . . 0.0 112.301 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 24' ' ' VAL . 16.0 t -81.65 -8.27 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 63.77 25.4 14.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.5 HG23 ' H ' ' A' ' 29' ' ' GLN . 4.6 t -87.54 161.53 17.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.239 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -51.46 -46.85 63.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.225 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 t -51.66 -51.45 55.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.793 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.5 ' H ' HG23 ' A' ' 26' ' ' THR . 4.7 tm0? -60.44 -39.06 86.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.66 -54.37 34.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.65 -52.02 53.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.536 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.71 -38.92 94.56 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.546 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.785 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -66.83 -37.77 85.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 0.0 110.983 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.512 ' N ' HD23 ' A' ' 33' ' ' LEU . 21.3 mm -65.24 -51.57 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.129 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 t -61.93 -38.83 89.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.183 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -63.08 -55.49 24.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.631 HG22 HD11 ' A' ' 41' ' ' ILE . 11.7 p -61.22 -31.92 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.644 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.3 mm? -65.31 -48.2 73.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.7 t90 -65.07 -42.02 94.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -60.78 -48.53 81.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.631 HD11 HG22 ' A' ' 37' ' ' VAL . 40.8 mt -60.83 -50.16 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 38' ' ' LEU . 86.3 t -53.31 -58.75 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.18 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.01 -45.04 71.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.3 ttp -61.42 -31.98 71.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.79 -50.34 30.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -68.54 -28.9 67.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -55.09 -39.84 69.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.3 mt -54.53 -32.37 58.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 67.6 m -96.43 40.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 54.85 28.05 9.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.81 40.83 51.61 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.543 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -99.37 111.24 23.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 110.828 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.75 -28.66 69.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.799 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -26.56 64.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.75 -31.37 72.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.3 mmm -61.55 -31.52 71.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -122.69 29.57 6.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -86.02 -69.81 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.468 ' OD2' HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -99.78 27.88 5.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -81.07 -26.09 36.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.86 -65.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.086 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.468 HD21 ' OD2' ' A' ' 59' ' ' ASP . 2.7 pp -61.04 -40.1 92.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.671 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -58.07 -33.15 68.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -53.57 -28.44 31.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.822 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -111.42 29.86 7.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -142.93 26.81 1.68 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -113.03 135.68 53.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.999 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.97 25.82 2.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.8 mp -82.9 160.67 60.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.497 0.665 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 121.34 8.04 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.66 2.24 . . . . 0.0 112.376 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -148.01 161.08 42.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.2 mt -80.63 115.26 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.023 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -94.74 -68.57 0.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -117.88 170.95 8.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -71.66 178.96 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -100.65 -62.71 1.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.96 83.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.551 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 6.1 p -170.92 70.9 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.768 0.318 . . . . 0.0 110.827 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -162.63 98.82 1.0 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.11 -75.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 p -151.19 82.64 1.32 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -108.25 36.08 4.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 55.66 34.24 22.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.842 0.353 . . . . 0.0 110.901 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -167.95 151.69 6.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -115.28 -27.55 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -112.72 -172.93 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.1 mp 62.69 103.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 6.4 t -157.67 57.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.93 -172.26 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.814 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -112.53 -74.0 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.79 -170.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.5 mt 71.01 -69.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.205 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.87 -49.93 58.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.676 ' HA ' HD21 ' A' ' 144' ' ' LEU . 2.2 t -54.66 -52.25 62.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.71 -48.87 84.07 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.434 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.455 HD13 HG12 ' A' ' 129' ' ' ILE . 16.7 mt -52.35 -50.05 63.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 110.907 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.443 ' HG ' HD12 ' A' ' 144' ' ' LEU . 2.8 mm? -60.01 -49.09 79.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.06 -53.14 59.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.811 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.604 ' HB3' HD13 ' A' ' 176' ' ' LEU . 25.8 m-85 -56.9 -47.41 80.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -54.53 -48.46 71.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -37.35 86.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.786 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.1 m-85 -62.1 -64.41 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.1 pp -54.65 -39.88 68.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.985 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.478 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.4 mt-10 -66.39 -36.31 82.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.719 ' CD1' HG22 ' A' ' 154' ' ' THR . 5.9 t80 -66.54 -52.02 50.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.974 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.749 ' CE ' HD11 ' A' ' 110' ' ' LEU . 10.0 ptm -71.03 -25.92 62.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.881 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.675 ' HA ' HD12 ' A' ' 110' ' ' LEU . 7.1 tmtt? -51.68 -45.2 63.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.82 -37.32 78.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -106.82 78.67 1.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.749 HD11 ' CE ' ' A' ' 106' ' ' MET . 11.9 mt -149.05 178.04 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -82.34 -175.87 5.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -51.3 69.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.64 -51.41 56.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.567 ' CB ' HD22 ' A' ' 110' ' ' LEU . 8.8 mttt -55.69 -36.31 67.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.826 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -68.0 -53.01 29.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.07 -47.2 65.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -71.63 -37.35 70.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.74 -46.78 74.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -55.71 -43.01 76.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.7 t -67.61 -34.41 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.056 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.56 HD21 HG12 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -67.14 -50.92 59.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -62.29 -43.15 99.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -60.91 -51.66 68.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.812 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -56.36 -47.04 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.737 HG22 ' CD1' ' A' ' 129' ' ' ILE . 8.9 m -57.68 -51.02 71.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -57.42 -37.22 72.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 96.2 m -66.45 -55.73 14.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.183 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.785 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -60.28 -30.63 69.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.737 ' CD1' HG22 ' A' ' 125' ' ' THR . 51.5 mt -71.54 -44.94 70.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.072 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -40.8 96.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 24.1 mt -67.62 -50.67 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.086 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.522 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.8 m-85 -63.99 -46.82 82.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.815 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -61.73 -40.6 95.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -62.82 -53.94 46.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -52.02 65.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.81 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 132' ' ' PHE . 92.7 t -60.37 -47.77 91.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.102 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -53.0 -45.28 67.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -70.02 -34.64 73.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 10.1 tp -66.41 -52.79 42.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -137.2 -75.23 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.31 -169.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.476 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.0 146.29 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.824 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.476 ' N ' HD13 ' A' ' 142' ' ' ILE . 7.5 m -130.2 113.09 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.676 HD21 ' HA ' ' A' ' 94' ' ' SER . 0.1 OUTLIER -175.81 87.17 0.29 Allowed Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.637 0.732 . . . . 0.0 110.959 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -48.78 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.365 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 178.82 147.6 0.39 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.547 0.689 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 168.63 21.04 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.729 2.286 . . . . 0.0 112.348 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 4.8 pt -119.76 -30.2 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.233 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.73 -40.63 60.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.767 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -50.76 -51.01 54.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.0 -49.31 71.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 11.2 mp -53.4 -56.06 19.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.61 -63.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.719 HG22 ' CD1' ' A' ' 105' ' ' TYR . 59.4 p -51.58 -32.72 29.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.263 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.79 -36.21 77.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -54.29 -41.2 68.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 6.6 mt -55.66 173.15 0.14 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 63.26 69.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.1 t -154.31 179.96 8.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -110.27 31.94 5.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -150.38 116.6 5.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.95 160.63 15.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -147.65 175.8 10.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.6 104.51 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -81.52 -39.11 25.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.12 -27.08 12.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.074 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -69.43 -69.84 0.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 90.4 m -48.94 -44.08 40.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.4 -46.25 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.189 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -60.75 -33.91 73.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -69.59 -55.41 10.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.786 HD12 ' HB3' ' A' ' 102' ' ' TYR . 20.1 pt -60.78 -36.02 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 18.4 mt -67.14 -51.99 47.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.402 ' HZ1' HD11 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -56.56 -48.95 76.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -42.34 99.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.791 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.604 HD13 ' HB3' ' A' ' 99' ' ' TYR . 9.5 tp -56.16 -55.37 33.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.17 -55.04 40.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.654 ' O ' HG23 ' A' ' 182' ' ' VAL . 4.3 mt-10 -52.83 -42.39 65.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -60.66 -50.75 72.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 35.3 mt -54.7 -48.57 72.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . 0.546 ' HG3' HD11 ' A' ' 38' ' ' LEU . 52.6 mtmt -59.98 -52.28 66.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 178' ' ' GLU . 96.0 t -57.21 -43.55 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 35.4 m -59.72 -48.15 82.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.155 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.497 HD23 HG13 ' A' ' 34' ' ' ILE . 1.2 tm? -58.73 -56.01 27.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -61.78 -26.49 68.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 28.8 t -73.63 -48.58 31.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 184' ' ' LEU . 9.3 t -69.15 -25.17 64.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.14 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -75.92 -73.19 0.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -179.55 -34.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 -179.911 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.794 0.33 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -93.15 71.7 4.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.8 p -59.45 137.55 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -60.94 112.96 2.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -96.12 175.84 6.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.4 30.73 6.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.74 169.45 19.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.839 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -127.61 -175.31 3.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.114 0.483 . . . . 0.0 110.793 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.6 t -119.21 -32.77 4.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.145 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -151.39 -174.23 4.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.91 26.26 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 p -105.1 101.68 11.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.1 159.69 70.02 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.584 0.707 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -178.75 2.53 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -116.86 24.67 11.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -129.55 154.93 80.91 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.509 0.671 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 111.72 2.88 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.64 2.227 . . . . 0.0 112.35 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.572 ' HB ' HG22 ' A' ' 26' ' ' THR . 21.8 t -96.94 -21.56 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 63.51 22.49 13.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.572 HG22 ' HB ' ' A' ' 24' ' ' VAL . 6.3 t -95.5 164.78 12.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 p -49.94 -46.9 52.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.171 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.1 m -55.27 -51.35 66.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.805 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.519 ' H ' HG23 ' A' ' 26' ' ' THR . 4.0 tm0? -60.52 -37.04 79.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 26' ' ' THR . 88.7 t -63.46 -54.48 32.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.713 ' O ' HG23 ' A' ' 35' ' ' THR . . . -57.82 -52.25 53.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.504 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.57 -42.08 95.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.443 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.577 HD21 ' HB3' ' A' ' 128' ' ' LEU . 1.1 tt -63.53 -47.36 81.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.322 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.474 ' N ' HD23 ' A' ' 33' ' ' LEU . 21.3 mm -56.99 -43.38 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 31' ' ' GLY . 28.9 p -64.45 -44.75 90.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -58.18 -55.5 34.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.773 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.737 HG22 HD11 ' A' ' 41' ' ' ILE . 9.9 p -60.77 -36.32 70.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.664 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.5 mp -59.13 -48.28 82.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -66.22 -42.87 88.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -60.1 -43.66 95.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.737 HD11 HG22 ' A' ' 37' ' ' VAL . 33.5 mt -64.29 -49.57 80.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 38' ' ' LEU . 85.4 t -54.0 -54.59 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -59.12 -44.25 91.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.9 ttt -62.74 -31.61 72.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.627 ' HA ' HD23 ' A' ' 173' ' ' LEU . 4.9 ttt180 -71.26 -51.25 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -69.35 -28.41 66.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -58.97 -32.63 69.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.459 HD23 ' HE3' ' A' ' 114' ' ' LYS . 26.9 mt -55.85 -33.94 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 30.9 m -97.11 37.02 1.36 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.816 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 63.19 26.67 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.28 36.18 92.46 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -91.28 111.87 23.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.88 0.371 . . . . 0.0 110.805 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.19 -30.68 28.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.964 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.71 -43.43 80.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -57.19 -26.05 60.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.4 mtp -69.68 -51.75 31.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -111.32 43.15 1.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.82 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.03 -49.09 6.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.527 ' OD2' HD11 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -133.5 26.9 4.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -74.85 -27.44 60.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.34 -26.08 51.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.527 HD11 ' OD2' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -115.59 -38.18 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.91 -38.49 75.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -53.92 -32.9 55.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -115.91 33.53 5.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -143.53 26.24 1.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.04 134.65 37.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.49 -26.59 30.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.519 HD23 ' CE1' ' A' ' 99' ' ' TYR . 8.4 mp -65.73 160.63 59.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.694 0.759 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 126.35 13.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.721 2.281 . . . . 0.0 112.334 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -135.49 134.57 39.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.632 ' HB ' HG11 ' A' ' 182' ' ' VAL . 50.4 mt -77.54 139.72 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -96.2 37.25 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.513 ' H ' HG22 ' A' ' 72' ' ' ILE . 0.0 OUTLIER 53.4 85.7 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -69.96 164.47 23.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -97.5 -28.14 14.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 174.4 91.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.601 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 19.7 m -135.42 80.43 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.379 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -165.21 -68.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -149.58 35.63 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -168.67 176.34 5.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.148 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 142.2 162.5 9.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.552 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -128.34 78.82 1.86 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.923 0.392 . . . . 0.0 110.991 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.7 t30 58.84 46.55 13.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.829 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -105.76 -71.4 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 53.85 -170.32 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 34.0 mt 62.65 81.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 20.4 m -133.49 -56.03 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 69.13 -74.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.585 HD11 HG23 ' A' ' 72' ' ' ILE . 1.4 tp 52.51 -170.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -141.72 -72.09 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.3 mt 70.97 -69.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.459 ' OG ' HD11 ' A' ' 142' ' ' ILE . 0.1 OUTLIER -57.06 -50.02 74.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.798 -179.902 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.619 ' HA ' HD11 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -55.33 -52.81 62.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.792 -179.841 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.17 -47.37 90.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.527 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 mp -54.62 -47.93 72.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.877 0.37 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.77 HD22 HD22 ' A' ' 144' ' ' LEU . 0.4 OUTLIER -61.29 -49.53 76.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -49.08 78.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.519 ' CE1' HD23 ' A' ' 69' ' ' LEU . 16.6 m-85 -56.49 -51.26 69.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.488 ' HA ' HD21 ' A' ' 103' ' ' LEU . 61.4 t-80 -54.48 -45.18 73.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.49 -38.46 89.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.592 ' HB3' HD12 ' A' ' 172' ' ' ILE . 23.1 m-85 -65.45 -64.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 122' ' ' GLN . 1.9 pp -51.0 -39.99 57.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.443 ' N ' HD12 ' A' ' 103' ' ' LEU . 23.4 tt0 -67.44 -38.07 83.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -63.45 -46.69 85.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.7 ptm -75.12 -31.2 61.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.49 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -66.77 -27.5 67.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -59.75 -33.02 71.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -136.07 95.48 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.693 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.9 mt -145.37 178.08 8.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.88 -176.03 3.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.53 -51.3 66.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -68.17 -50.04 56.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.693 ' CB ' HD22 ' A' ' 110' ' ' LEU . 20.8 mmtm -55.79 -33.77 64.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.9 -48.91 51.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.986 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -55.55 -46.37 77.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.6 mmpp? -71.25 -41.71 69.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.88 -42.03 71.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -41.37 73.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 98.0 t -72.27 -36.81 56.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.206 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.433 HD11 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -66.96 -51.28 57.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.5 ' HA ' HD13 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -64.5 -44.22 91.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -58.39 -52.83 63.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -57.45 -47.94 80.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.478 HG22 HD12 ' A' ' 129' ' ' ILE . 29.6 m -54.18 -48.17 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -63.0 -35.31 79.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.54 HG22 HD11 ' A' ' 131' ' ' ILE . 4.7 m -65.43 -56.36 12.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.065 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.577 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -61.18 -34.02 74.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.478 HD12 HG22 ' A' ' 125' ' ' THR . 53.6 mt -69.99 -37.78 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.171 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -71.36 -37.37 71.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.54 HD11 HG22 ' A' ' 127' ' ' THR . 8.4 mt -68.84 -49.72 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.072 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.556 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.5 m-85 -65.64 -46.2 80.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -62.38 -41.5 98.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -63.17 -52.9 60.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.95 -52.23 66.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.812 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 132' ' ' PHE . 88.5 t -59.71 -50.38 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -52.4 -44.88 65.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.09 -32.58 70.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.29 -42.09 72.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -144.79 -75.58 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.65 -178.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.459 HD11 ' OG ' ' A' ' 93' ' ' SER . 6.0 tp -177.3 139.13 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.426 ' H ' HD12 ' A' ' 142' ' ' ILE . 6.4 m -152.68 169.47 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.208 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.77 HD22 HD22 ' A' ' 97' ' ' LEU . 6.2 tt -173.64 135.62 0.66 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.632 0.73 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.633 ' N ' HD23 ' A' ' 144' ' ' LEU . 54.5 Cg_endo -69.71 -84.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.741 2.294 . . . . 0.0 112.341 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -176.94 159.27 1.48 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.576 0.703 . . . . 0.0 111.179 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.502 ' HD2' HG22 ' A' ' 146' ' ' THR . 53.5 Cg_endo -69.75 166.5 27.39 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.701 2.268 . . . . 0.0 112.311 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.6 tt -129.55 -38.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.687 ' O ' HD12 ' A' ' 153' ' ' LEU . 0.3 OUTLIER -58.09 -23.32 54.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.778 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -51.07 -47.79 61.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.02 -35.82 75.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 42.4 mt -65.63 -57.54 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.687 HD12 ' O ' ' A' ' 149' ' ' SER . 1.2 mp -54.33 -52.57 61.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 67.8 p -58.9 -39.92 82.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.24 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -64.3 -45.55 87.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -89.79 -170.5 2.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.3 mp 63.15 167.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -139.04 173.22 11.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.6 p -65.71 -38.12 88.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -111.51 113.46 25.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -172.7 138.2 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.966 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -116.85 -44.16 2.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 30.8 p90 -97.03 178.87 5.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 71.33 -69.99 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.837 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -52.27 -30.78 29.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 3.8 m -50.69 -26.43 5.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -69.71 -68.87 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.5 m -48.46 -45.76 37.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.8 mm -61.88 -49.97 82.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -62.04 -29.43 70.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -55.26 10.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.592 HD12 ' HB3' ' A' ' 102' ' ' TYR . 21.1 pt -60.94 -35.92 68.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.627 HD23 ' HA ' ' A' ' 45' ' ' ARG . 0.9 OUTLIER -66.78 -51.88 50.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -57.3 -48.47 78.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.91 -41.85 96.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.516 HD11 HD11 ' A' ' 180' ' ' LEU . 7.8 tp -58.95 -58.15 9.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.563 ' OE1' HG22 ' A' ' 42' ' ' VAL . 1.5 tt0 -52.92 -52.13 58.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.583 ' O ' HG23 ' A' ' 182' ' ' VAL . 68.0 mt-10 -57.81 -46.41 84.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.95 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -62.57 -31.15 71.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.929 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.516 HD11 HD11 ' A' ' 176' ' ' LEU . 37.0 mt -69.8 -56.65 6.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . 0.485 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -56.69 -42.17 78.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.961 179.777 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.632 HG11 ' HB ' ' A' ' 72' ' ' ILE . 82.1 t -63.92 -52.83 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.006 0.432 . . . . 0.0 111.198 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 83.6 m -53.26 -46.9 69.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.175 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.414 ' C ' HD13 ' A' ' 184' ' ' LEU . 2.1 tm? -61.44 -52.35 64.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -59.41 -31.73 69.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 35.4 t -70.1 -50.29 42.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 184' ' ' LEU . 10.0 t -67.88 -24.69 65.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.103 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -54.95 -59.06 5.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -179.6 -34.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 21.0 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 -179.924 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.5 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.904 0.383 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -140.75 73.46 1.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.4 p -70.78 150.54 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.8 mmt85 -124.83 154.75 40.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -75.7 -179.59 4.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.24 49.64 1.21 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.441 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -125.03 132.34 53.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.87 0.367 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -128.97 -175.62 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 t -120.24 -39.2 2.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -148.12 156.59 42.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -177.55 77.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.9 p -77.7 100.53 6.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.174 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.91 159.88 60.49 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.541 0.686 . . . . 0.0 111.169 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -170.83 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.682 2.254 . . . . 0.0 112.314 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.25 -50.34 3.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 50.67 77.22 0.47 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.619 0.723 . . . . 0.0 110.933 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 86.89 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.609 2.206 . . . . 0.0 112.337 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.76 -15.48 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.209 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 57.2 33.86 23.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.711 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -110.71 166.99 10.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.2 p -51.5 -46.2 63.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.199 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.9 m -56.81 -51.51 68.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -61.66 -39.29 90.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 26' ' ' THR . 97.9 t -62.01 -54.21 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.706 ' O ' HG23 ' A' ' 35' ' ' THR . . . -57.99 -51.77 56.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.8 -41.72 94.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.568 HD21 HD23 ' A' ' 128' ' ' LEU . 0.6 OUTLIER -64.15 -50.89 66.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.343 . . . . 0.0 110.973 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.565 HG22 HD12 ' A' ' 38' ' ' LEU . 20.9 mm -53.95 -44.02 60.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.706 HG23 ' O ' ' A' ' 31' ' ' GLY . 31.1 p -64.7 -45.29 87.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -62.61 -55.26 28.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.779 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.583 HG22 HD11 ' A' ' 41' ' ' ILE . 9.6 p -59.24 -33.89 52.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.617 HD21 ' HB3' ' A' ' 180' ' ' LEU . 10.7 mt -64.77 -48.48 74.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.977 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -63.4 -41.03 98.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -62.4 -46.07 90.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.583 HD11 HG22 ' A' ' 37' ' ' VAL . 26.4 mt -60.83 -48.0 90.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.16 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 38' ' ' LEU . 90.4 t -57.32 -52.76 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -57.76 -44.13 85.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.412 ' O ' HD13 ' A' ' 48' ' ' LEU . 4.7 ttp -66.57 -31.8 72.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.831 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.668 ' HA ' HD23 ' A' ' 173' ' ' LEU . 0.1 OUTLIER -73.58 -51.27 17.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.54 -28.66 66.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -54.62 -41.2 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.816 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.46 HD12 ' HE3' ' A' ' 114' ' ' LYS . 9.0 mp -53.94 -28.2 35.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.4 m -96.48 32.02 2.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t30 61.49 26.7 16.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.03 42.18 94.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.447 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -99.78 107.38 19.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.338 . . . . 0.0 110.83 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.0 m -52.94 -30.57 35.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -43.45 98.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.828 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -54.1 -33.75 58.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.5 mtp -56.93 -32.09 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -121.54 26.54 8.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -93.11 -57.25 2.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -98.92 26.61 5.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -103.17 27.76 6.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.47 -32.76 6.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.24 -37.3 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.401 ' HB1' ' CE1' ' A' ' 171' ' ' PHE . . . -55.01 -40.97 70.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.417 ' HA ' HD12 ' A' ' 67' ' ' LEU . 10.8 tt0 -55.69 -26.24 43.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -107.09 26.3 10.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -150.55 25.16 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 64' ' ' GLU . 1.2 mt -97.77 -50.79 4.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.68 21.92 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.978 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.447 HD23 ' HE1' ' A' ' 99' ' ' TYR . 6.6 mp -83.97 160.64 57.52 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.556 0.693 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.84 78.72 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.742 2.294 . . . . 0.0 112.245 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.92 153.24 30.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.2 mt -70.34 125.77 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -119.43 -41.42 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -153.6 74.92 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -172.61 120.88 0.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -151.39 28.67 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.44 89.19 2.08 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 15.9 p -116.8 128.81 55.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.363 . . . . 0.0 110.937 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -165.74 -44.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.39 143.27 32.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.9 t -172.87 -37.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 164.12 -99.88 0.17 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.5 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -133.25 43.1 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 110.869 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -161.84 98.91 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -79.5 152.48 30.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.2 pt-20 -137.44 177.79 7.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 15.8 tt -117.11 141.02 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 16.9 m -109.54 156.84 19.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.1 mp -97.23 33.69 1.92 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.85 115.38 10.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mtpp -106.43 -74.28 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.4 mt 70.98 -69.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.237 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.9 m -51.14 -48.06 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 m -61.33 -52.29 65.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.37 -51.06 59.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.771 HD12 HD11 ' A' ' 129' ' ' ILE . 3.0 mm? -55.44 -49.41 72.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 110.931 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.652 ' HG ' HD21 ' A' ' 144' ' ' LEU . 1.4 mm? -55.39 -49.35 72.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -55.28 34.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.447 ' HE1' HD23 ' A' ' 69' ' ' LEU . 24.0 m-85 -57.12 -42.93 81.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -55.71 -48.96 74.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.9 -39.94 95.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.789 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.409 ' HB3' HD12 ' A' ' 172' ' ' ILE . 16.0 m-85 -61.6 -64.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 104' ' ' GLU . 3.7 pp -54.17 -37.46 64.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.468 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.7 mm-40 -63.66 -40.5 96.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.531 ' CE1' HG23 ' A' ' 154' ' ' THR . 5.9 t80 -66.68 -52.3 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.9 ptm -65.94 -25.99 67.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -27.73 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.38 -37.96 82.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -127.67 97.73 4.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.688 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.9 mt -145.45 178.02 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -77.23 -175.92 3.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.84 -51.25 67.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -72.22 -47.74 48.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.688 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.4 mmtm -55.59 -34.59 64.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.921 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.65 -45.2 75.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -46.03 92.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.813 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -71.66 -32.6 68.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.08 -39.06 86.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -62.36 -50.42 71.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.25 -35.55 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.165 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.407 HD21 ' HA ' ' A' ' 41' ' ' ILE . 1.9 mp -62.61 -50.27 71.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.996 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -48.7 78.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.943 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -53.71 -52.89 58.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.424 ' HA ' HD11 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -56.72 -52.86 63.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.824 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.572 HG22 ' CD1' ' A' ' 129' ' ' ILE . 12.8 m -51.76 -40.63 60.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -68.27 -37.34 80.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.48 ' O ' HD12 ' A' ' 131' ' ' ILE . 3.0 m -63.66 -56.75 13.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.164 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.568 HD23 HD21 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -59.6 -44.78 93.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.771 HD11 HD12 ' A' ' 96' ' ' LEU . 62.4 mt -59.8 -39.73 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -66.44 -45.54 79.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 127' ' ' THR . 6.0 mt -65.05 -46.61 90.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -65.75 -48.08 73.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -58.46 -43.46 88.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -64.45 -47.07 80.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -57.12 -52.0 67.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.15 -27.76 38.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -69.02 -39.26 79.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -77.54 -45.83 24.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.815 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 23.8 tp -68.04 -58.05 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.68 -169.84 1.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -121.73 129.53 52.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.6 tp -177.39 135.77 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.1 m -152.93 172.48 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.652 HD21 ' HG ' ' A' ' 97' ' ' LEU . 1.1 pp -150.44 154.73 36.09 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 0.0 110.79 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.525 ' O ' HG23 ' A' ' 146' ' ' THR . 53.0 Cg_endo -69.91 -86.7 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.271 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -176.25 159.27 1.76 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.589 0.709 . . . . 0.0 111.095 -179.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.488 ' HD2' HG22 ' A' ' 146' ' ' THR . 53.9 Cg_endo -69.77 146.94 61.66 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.598 2.199 . . . . 0.0 112.397 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 1.1 tt -116.81 -25.03 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 20.1 m -52.0 -30.23 24.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -51.49 -50.96 58.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -52.03 -46.49 65.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.12 -49.39 77.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.514 HD23 ' CE2' ' A' ' 105' ' ' TYR . 0.6 OUTLIER -53.72 -61.61 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.531 HG23 ' CE1' ' A' ' 105' ' ' TYR . 0.2 OUTLIER -53.85 -39.83 65.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -56.28 -34.73 66.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -102.41 107.11 17.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 6.3 tp -136.67 131.23 33.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 52.47 77.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.37 -61.0 1.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.824 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.6 138.14 20.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 56.88 -177.57 0.05 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -119.87 33.07 5.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -138.34 35.27 2.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.6 tp -104.9 -49.52 3.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -37.08 57.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.22 -26.87 12.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -69.44 -69.89 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 34.7 m -49.03 -44.46 41.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.3 -48.71 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -61.85 -29.01 69.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 0.401 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -71.45 -55.48 7.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.859 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.409 HD12 ' HB3' ' A' ' 102' ' ' TYR . 17.9 pt -59.15 -37.17 66.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.668 HD23 ' HA ' ' A' ' 45' ' ' ARG . 0.9 OUTLIER -67.88 -51.1 52.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -59.56 -51.92 67.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 47.2 p -58.98 -44.66 91.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.824 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.0 tp -56.24 -58.06 9.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.403 ' HG3' HG22 ' A' ' 42' ' ' VAL . 6.4 tm-20 -52.88 -54.34 36.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 182' ' ' VAL . 0.8 OUTLIER -52.96 -49.99 64.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.903 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -60.92 -30.96 70.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.617 ' HB3' HD21 ' A' ' 38' ' ' LEU . 1.2 tp -67.58 -59.11 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -55.89 -43.87 77.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 178' ' ' GLU . 98.8 t -62.03 -46.21 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.471 ' O ' HG22 ' A' ' 187' ' ' THR . 88.2 m -64.84 -31.31 72.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.493 ' HG ' HG21 ' A' ' 34' ' ' ILE . 1.5 tm? -70.7 -47.96 57.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -74.48 -24.4 59.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.0 m -77.4 -52.11 9.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 183' ' ' THR . 14.6 t -63.32 -24.02 67.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.061 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -75.87 -28.25 58.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 41.4 84.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 8.3 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 -179.897 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -158.83 121.16 3.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 p -72.04 145.36 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.185 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.18 144.48 43.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -91.27 168.16 11.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.05 53.66 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.34 171.55 7.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 0.0 110.771 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.66 -172.78 2.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 t -119.77 -33.45 4.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 62.15 176.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -170.8 41.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.9 p -132.84 120.7 21.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -139.36 159.62 65.23 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.497 0.665 . . . . 0.0 111.229 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.75 -179.07 2.65 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.73 2.287 . . . . 0.0 112.431 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -69.44 -49.53 54.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -122.23 155.54 61.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.654 0.74 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 120.41 7.19 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.656 2.237 . . . . 0.0 112.341 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.726 HG13 HG22 ' A' ' 26' ' ' THR . 7.5 p -91.55 -19.24 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 61.25 58.56 2.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.726 HG22 HG13 ' A' ' 24' ' ' VAL . 9.3 t -123.29 167.23 14.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.13 -44.5 52.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -51.72 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.444 ' H ' HG23 ' A' ' 26' ' ' THR . 0.0 OUTLIER -61.72 -41.19 97.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 26' ' ' THR . 58.3 t -61.25 -54.24 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.168 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.73 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.82 -51.87 54.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.8 -41.59 94.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.3 -46.28 87.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.547 HG13 HD23 ' A' ' 184' ' ' LEU . 26.1 mm -58.97 -41.83 84.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 31' ' ' GLY . 25.3 p -65.1 -43.99 90.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.195 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -61.7 -55.17 33.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.645 HG22 HD11 ' A' ' 41' ' ' ILE . 13.9 p -59.31 -35.52 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.064 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.559 ' O ' HG23 ' A' ' 42' ' ' VAL . 10.1 mt -62.51 -48.81 77.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -63.18 -42.16 99.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.85 -45.24 95.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.645 HD11 HG22 ' A' ' 37' ' ' VAL . 22.7 mt -61.54 -46.9 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.224 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 38' ' ' LEU . 88.4 t -58.23 -46.26 88.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.038 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -43.76 83.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.2 ttt -65.22 -31.9 73.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.711 ' HA ' HD23 ' A' ' 173' ' ' LEU . 16.3 ttp85 -72.57 -51.18 20.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.837 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -28.76 66.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.5 -36.05 66.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.461 HD12 ' NZ ' ' A' ' 114' ' ' LYS . 7.9 mp -59.3 -26.27 64.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.57 29.78 5.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.4 t30 61.61 36.4 16.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.69 48.18 83.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.452 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -98.79 107.33 19.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.859 0.362 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 98.1 p -57.77 -31.5 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.78 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -35.39 74.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.7 t -57.06 -26.61 60.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.4 mtp -62.17 -51.56 67.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.964 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -104.24 36.89 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -90.98 -52.54 4.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -105.98 35.58 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 55.6 p-10 -96.64 26.22 4.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.787 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.29 -29.68 10.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.059 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.81 -33.39 4.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.54 -29.87 70.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -62.08 -26.89 68.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -121.09 33.04 5.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.955 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -146.29 26.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.784 HD22 HD12 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -99.59 -50.59 4.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.52 24.84 9.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.784 HD12 HD22 ' A' ' 67' ' ' LEU . 20.4 mt -84.08 159.3 60.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.652 0.739 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 81.32 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.696 2.264 . . . . 0.0 112.318 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -111.88 160.82 17.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.2 mt -73.75 142.06 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.06 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -159.57 31.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.985 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -70.97 145.44 50.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -101.4 -170.35 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.05 106.55 5.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.69 151.71 6.08 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.6 t -165.49 -45.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.952 0.406 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -121.24 -39.6 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.07 -52.81 48.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.1 m 71.31 -69.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.01 -143.76 43.81 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -78.37 -30.93 48.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.882 0.372 . . . . 0.0 110.975 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -85.12 179.61 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -141.3 119.55 12.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -157.79 107.17 2.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.414 HD12 ' HB2' ' A' ' 89' ' ' LEU . 5.7 pt -78.14 164.2 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.6 m -93.33 -64.71 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.414 ' HB2' HD12 ' A' ' 87' ' ' ILE . 9.0 tp 63.27 26.01 14.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.9 mt -57.69 116.75 3.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -99.54 -66.95 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.5 mt 71.67 -66.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.14 -42.32 50.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.807 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 94.9 p -60.65 -50.68 72.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.04 -52.33 53.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.693 HD13 HD11 ' A' ' 128' ' ' LEU . 26.7 mt -62.61 -33.74 75.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.886 0.374 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.629 HD21 HD21 ' A' ' 144' ' ' LEU . 16.4 tp -64.79 -49.43 70.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.06 -49.44 75.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.83 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.513 ' HB3' HD13 ' A' ' 176' ' ' LEU . 20.9 m-85 -58.2 -43.49 87.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.964 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.465 ' HA ' HD21 ' A' ' 103' ' ' LEU . 40.7 t-80 -60.63 -45.16 95.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 t -62.98 -39.7 95.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.459 ' HB3' HD12 ' A' ' 172' ' ' ILE . 20.6 m-85 -64.36 -64.5 0.86 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 104' ' ' GLU . 3.6 pp -51.77 -39.33 58.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.533 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.9 mm-40 -63.69 -43.4 96.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.401 ' CE1' HG22 ' A' ' 154' ' ' THR . 7.3 t80 -62.38 -41.31 98.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 33.6 ttp -68.79 -37.99 79.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -52.33 -33.71 43.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.72 -37.48 79.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -121.21 89.88 3.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.667 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.0 mt -149.02 177.67 9.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -77.29 -175.91 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.99 -51.09 68.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -72.55 -46.88 52.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.667 ' CB ' HD22 ' A' ' 110' ' ' LEU . 13.4 mmtt -55.77 -37.81 69.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.941 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -68.11 -48.38 65.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.66 -48.37 72.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -71.57 -38.34 70.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.78 -46.77 74.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -55.42 -43.63 75.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 64.1 t -67.14 -35.3 73.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.2 -51.04 63.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -63.38 -42.74 98.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 21.7 ttp85 -58.99 -53.61 56.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -56.99 -49.26 76.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.676 HG22 ' CD1' ' A' ' 129' ' ' ILE . 12.2 m -56.63 -46.22 81.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.11 -33.67 74.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.45 HG22 HD11 ' A' ' 131' ' ' ILE . 4.8 m -67.62 -56.41 9.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.693 HD11 HD13 ' A' ' 96' ' ' LEU . 1.1 pp -60.31 -33.68 72.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.966 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.676 ' CD1' HG22 ' A' ' 125' ' ' THR . 65.2 mt -69.77 -44.2 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -63.64 -41.03 98.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.45 HD11 HG22 ' A' ' 127' ' ' THR . 9.1 mt -66.16 -52.92 42.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.548 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.6 m-85 -62.53 -49.5 75.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -58.63 -40.58 83.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -62.3 -53.21 58.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.92 -49.55 77.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 132' ' ' PHE . 96.9 t -61.26 -35.35 65.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.08 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -69.07 -40.19 78.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -69.91 -35.56 74.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.8 tp -77.81 -58.06 3.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.57 -169.74 2.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.805 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -89.53 -170.48 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.413 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.78 144.09 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.145 179.858 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.413 ' N ' HD13 ' A' ' 142' ' ' ILE . 14.1 t -119.05 153.12 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.629 HD21 HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -96.4 138.8 21.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.632 0.73 . . . . 0.0 110.887 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.9 -42.35 3.33 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.687 2.258 . . . . 0.0 112.271 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.529 ' H ' HD23 ' A' ' 144' ' ' LEU . 1.7 m 65.08 67.47 0.8 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.633 0.73 . . . . 0.0 111.166 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 155.89 64.96 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.699 2.266 . . . . 0.0 112.384 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.6 tt -117.76 -15.72 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.177 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.737 ' O ' HD12 ' A' ' 153' ' ' LEU . 8.7 m -51.82 -30.58 23.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.803 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . 0.45 ' O ' HG23 ' A' ' 154' ' ' THR . 2.8 p-10 -51.38 -43.33 61.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -62.59 -35.3 79.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.38 -53.13 25.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.737 HD12 ' O ' ' A' ' 149' ' ' SER . 1.3 mp -57.13 -50.65 72.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 150' ' ' ASN . 60.8 p -62.2 -41.05 97.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -56.72 -40.87 76.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.0 163.13 2.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.97 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.9 mp -105.1 -176.75 3.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -123.08 155.44 36.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 50.3 m 58.7 -176.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 59.81 28.3 17.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.978 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.48 172.36 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -163.79 168.57 19.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 33.0 m95 52.32 57.57 6.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.4 -53.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -43.9 79.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -26.63 9.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -69.68 -69.75 0.33 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 92.2 m -48.8 -45.9 40.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.435 HG21 HD21 ' A' ' 48' ' ' LEU . 1.7 mp -60.73 -51.18 76.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -61.43 -27.77 68.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.97 -55.37 8.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.459 HD12 ' HB3' ' A' ' 102' ' ' TYR . 21.0 pt -60.89 -36.17 69.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.115 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.711 HD23 ' HA ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -67.83 -52.53 35.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -57.88 -52.14 66.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -44.55 92.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.522 HD22 HD23 ' A' ' 103' ' ' LEU . 12.1 tp -56.86 -52.62 64.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.41 -57.08 13.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.604 ' O ' HG23 ' A' ' 182' ' ' VAL . 7.6 mt-10 -53.46 -50.06 66.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.5 -30.84 69.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.779 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.541 ' HB3' HD21 ' A' ' 38' ' ' LEU . 1.5 mt -68.09 -60.54 2.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.9 ptpm? -53.79 -42.64 68.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 178' ' ' GLU . 96.3 t -63.09 -48.91 85.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 97.1 m -60.46 -32.32 71.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.547 HD23 HG13 ' A' ' 34' ' ' ILE . 2.7 tm? -70.44 -55.98 7.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -19.81 65.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.801 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 5.6 m -79.83 -48.55 13.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.5 t -69.56 -24.9 63.77 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.215 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -70.82 -36.81 73.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 64.29 106.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.151 -179.858 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.868 0.366 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 60.83 84.99 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.1 t -92.91 131.21 40.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.57 110.15 22.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.1 mtm180 -67.37 167.02 13.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.31 41.18 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.444 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -61.99 112.17 2.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.931 0.396 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.13 170.15 9.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.7 t -116.36 -29.37 6.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.195 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -53.91 157.57 2.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -156.34 73.87 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 t -77.89 164.44 25.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.02 159.64 47.97 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.495 0.664 . . . . 0.0 111.164 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 177.38 5.65 Favored 'Trans proline' 0 C--N 1.34 0.107 0 C-N-CA 122.637 2.225 . . . . 0.0 112.328 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -153.43 47.84 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 61.61 161.0 0.11 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.832 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 81.01 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.626 2.217 . . . . 0.0 112.367 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.2 t -88.21 -18.34 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 63.77 41.97 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.583 ' O ' HG23 ' A' ' 30' ' ' VAL . 2.1 t -109.76 156.97 19.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -52.42 -49.96 63.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.75 -51.64 54.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 -179.877 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.571 ' H ' HG23 ' A' ' 26' ' ' THR . 0.9 OUTLIER -61.01 -41.4 96.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.963 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 26' ' ' THR . 96.3 t -61.41 -54.39 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.691 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.07 -52.08 51.52 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.492 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.59 -43.15 94.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.551 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.8 OUTLIER -63.31 -49.3 74.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.737 0.303 . . . . 0.0 110.834 -179.889 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.585 ' O ' HD23 ' A' ' 38' ' ' LEU . 22.1 mm -54.12 -44.45 63.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.167 179.873 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 31' ' ' GLY . 29.1 p -64.93 -44.2 90.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.172 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -59.0 -55.19 38.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.698 HG22 ' CD1' ' A' ' 41' ' ' ILE . 11.4 p -60.06 -35.34 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.1 mm? -60.71 -48.53 81.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.6 t90 -65.42 -42.82 92.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -60.88 -47.73 85.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.698 ' CD1' HG22 ' A' ' 37' ' ' VAL . 48.1 mt -60.14 -49.66 83.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 38' ' ' LEU . 83.0 t -54.62 -58.72 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.059 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -54.98 -45.87 75.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.8 ttp -60.55 -31.72 70.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -71.92 -51.21 23.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -67.89 -28.79 67.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -54.97 -40.07 69.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.79 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.1 mt -54.52 -28.49 45.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 71.0 m -97.83 32.86 2.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t30 62.75 26.81 15.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.81 37.22 61.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.443 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -98.5 103.89 15.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.0 p -55.61 -34.77 65.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -28.39 67.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.1 t -63.04 -29.21 70.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.8 mtp -69.09 -46.03 68.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -100.35 26.26 6.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -76.47 -54.42 6.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.529 ' CG ' HD21 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -135.02 26.21 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.814 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.484 ' HA ' ' HB3' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -75.53 -26.51 58.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.81 -32.16 30.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.059 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.529 HD21 ' CG ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -104.74 -33.56 8.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.927 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' A' ' 60' ' ' ASP . . . -53.92 -42.82 69.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.054 179.866 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -55.28 -26.46 40.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -108.53 26.29 10.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -131.54 25.42 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.39 129.44 55.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.85 22.06 16.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 mt -83.98 154.73 64.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.633 0.73 . . . . 0.0 110.931 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 119.55 6.48 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.75 2.3 . . . . 0.0 112.333 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -145.96 160.99 41.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.0 mp -84.98 110.9 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.087 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -140.4 126.73 19.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 52.06 64.05 2.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -106.37 117.74 34.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -88.59 -27.51 21.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.93 129.57 5.56 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.523 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 94.0 m -59.88 98.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.964 0.411 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -107.52 139.47 42.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.43 172.19 13.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.3 p -140.77 -45.44 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 133.11 -80.44 0.33 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.448 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.4 -178.35 4.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.932 0.396 . . . . 0.0 110.941 -179.736 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 t30 59.36 178.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -98.13 -174.25 2.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.801 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -167.05 -179.56 4.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.523 ' H ' HD13 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -143.41 174.64 4.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.235 179.936 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.31 -36.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 59.7 -179.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.4 mt -111.43 166.65 10.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.3 pttm -168.97 -177.52 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.2 mt 70.81 -69.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.05 -50.02 59.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.5 m -54.51 -52.23 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.59 -45.04 97.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.598 HD13 HG12 ' A' ' 129' ' ' ILE . 18.4 mt -56.74 -45.49 81.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.848 0.356 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.1 -49.17 75.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -56.56 -56.54 20.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.757 ' HB3' HD13 ' A' ' 176' ' ' LEU . 23.5 m-85 -54.2 -47.19 72.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.811 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -54.2 -48.55 70.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -37.5 86.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.775 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.526 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.9 m-85 -62.62 -64.52 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.403 HD23 HD22 ' A' ' 176' ' ' LEU . 1.5 pp -54.8 -36.97 65.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -66.8 -36.91 83.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.761 ' CE1' HG22 ' A' ' 154' ' ' THR . 13.1 t80 -68.28 -52.05 38.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.99 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.5 ptm -67.81 -30.83 70.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.86 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.611 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -53.94 -38.4 64.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.905 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.93 -37.42 79.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.97 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -115.84 89.25 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 107' ' ' LYS . 11.6 mt -149.14 177.92 9.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.37 -175.94 5.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.22 -51.19 68.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.91 -47.69 61.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.566 ' HB3' HD13 ' A' ' 110' ' ' LEU . 9.0 mttt -55.73 -36.48 67.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -53.0 26.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.896 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -52.02 -46.71 65.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -72.38 -36.89 68.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.07 -47.13 75.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.026 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -55.79 -41.04 73.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 84.5 t -70.85 -32.77 49.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.446 HD11 HG13 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -68.86 -52.12 33.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -34.42 78.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.993 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 34.1 mtp85 -66.04 -52.24 50.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -60.1 -45.05 94.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.7 HG22 ' CD1' ' A' ' 129' ' ' ILE . 24.7 m -57.81 -51.11 70.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.62 -39.27 80.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.0 m -63.86 -56.1 17.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.531 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -60.66 -31.01 70.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.953 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.7 ' CD1' HG22 ' A' ' 125' ' ' THR . 51.6 mt -70.44 -40.32 77.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.839 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.6 -38.18 73.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 39.1 mt -67.55 -51.03 55.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.17 -47.84 78.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -60.17 -41.79 93.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -63.46 -47.82 80.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.13 -52.11 66.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.8 m -66.69 -28.34 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.2 -40.3 78.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -75.58 -42.49 51.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.34 -58.01 4.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.15 -169.62 1.96 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.855 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.09 173.4 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.5 tp -176.33 143.87 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 21.7 t -144.89 150.09 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.06 179.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.97 137.48 12.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -86.8 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.731 2.287 . . . . 0.0 112.331 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 178.42 147.45 0.36 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.63 0.728 . . . . 0.0 111.144 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 127.2 14.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.739 2.292 . . . . 0.0 112.254 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 2.2 tt -116.91 -25.19 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.7 m -52.12 -44.8 64.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . 0.435 ' O ' HG23 ' A' ' 154' ' ' THR . 2.6 t30 -51.05 -46.49 61.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -57.37 -53.28 59.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.9 mp -51.99 -54.89 24.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.59 -63.68 1.06 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.761 HG22 ' CE1' ' A' ' 105' ' ' TYR . 52.5 p -51.18 -33.06 25.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -72.4 -35.83 68.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.936 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -71.84 -70.63 0.32 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.2 mp -100.15 168.46 9.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -158.61 -47.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.47 -170.14 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 63.19 169.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -118.65 -56.42 2.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 60.35 177.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 23.5 p-90 -121.13 26.7 8.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.24 -28.44 7.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -59.08 -27.55 65.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.69 -26.61 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -69.4 -68.97 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.8 m -48.6 -45.15 37.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.9 mm -62.83 -45.3 99.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -63.61 -30.84 71.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.07 -55.29 8.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.526 HD12 ' HB3' ' A' ' 102' ' ' TYR . 13.4 pt -59.02 -39.55 78.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.113 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.75 -46.61 71.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.483 ' HZ3' ' HB1' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -57.09 -52.06 66.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.778 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.3 t -61.4 -43.7 98.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.757 HD13 ' HB3' ' A' ' 99' ' ' TYR . 18.5 tp -53.98 -55.53 26.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.517 ' HG2' HD13 ' A' ' 38' ' ' LEU . 2.2 tm-20 -58.06 -54.11 50.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.64 ' O ' HG23 ' A' ' 182' ' ' VAL . 10.1 mt-10 -52.86 -41.79 64.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -62.31 -48.61 79.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 72.1 mt -56.32 -45.42 80.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . 0.56 ' HG2' HD11 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -61.19 -51.1 70.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 179.803 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 178' ' ' GLU . 58.6 t -58.58 -44.81 90.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 36.2 m -60.66 -43.35 97.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.422 HD23 HG13 ' A' ' 34' ' ' ILE . 1.1 tm? -61.64 -54.38 43.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.949 179.892 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -64.6 -25.97 68.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 11.0 t -71.93 -48.74 43.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 184' ' ' LEU . 8.9 t -68.04 -24.87 65.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -82.53 -26.81 32.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.976 179.907 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 63.3 16.68 9.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.849 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.798 0.332 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -122.74 97.86 5.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.8 t -86.07 138.83 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.077 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.62 109.92 19.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -67.33 174.03 3.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.98 -19.68 1.41 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.508 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.28 163.16 20.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -117.02 -176.19 2.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.997 0.427 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.5 t -111.29 -29.27 7.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.097 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.96 152.1 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -171.18 54.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 t -135.74 148.38 48.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.197 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.76 159.68 67.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.531 0.681 . . . . 0.0 111.135 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -170.75 0.41 Allowed 'Trans proline' 0 N--CA 1.466 -0.108 0 C-N-CA 122.76 2.307 . . . . 0.0 112.291 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -94.22 39.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 mtt85 -118.88 73.88 12.45 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.582 0.706 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 85.98 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.721 2.28 . . . . 0.0 112.322 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -67.33 -13.47 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 63.55 28.77 15.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 30' ' ' VAL . 1.3 p -98.58 170.96 8.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -51.75 -43.84 63.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.099 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -51.47 66.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -39.64 91.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 26' ' ' THR . 96.9 t -63.73 -54.11 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.674 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.2 -51.81 53.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.448 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.39 -37.43 94.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.569 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.546 HD13 HG21 ' A' ' 127' ' ' THR . 0.7 OUTLIER -65.48 -47.37 76.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 110.903 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.5 mt -62.14 -41.07 89.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 179.856 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 31' ' ' GLY . 59.5 p -64.61 -44.47 90.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.05 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -62.04 -55.17 31.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.632 HG22 HD11 ' A' ' 41' ' ' ILE . 13.6 p -59.73 -34.36 55.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.592 ' O ' HG23 ' A' ' 42' ' ' VAL . 13.2 mt -64.26 -48.13 76.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -63.92 -40.79 97.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -62.67 -45.81 91.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.982 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.632 HD11 HG22 ' A' ' 37' ' ' VAL . 26.8 mt -61.8 -46.95 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.08 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 38' ' ' LEU . 91.3 t -59.14 -46.4 92.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.15 -43.4 82.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.628 ' SD ' HD21 ' A' ' 173' ' ' LEU . 0.0 OUTLIER -65.44 -32.22 73.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.578 ' HA ' HD23 ' A' ' 173' ' ' LEU . 6.9 ttp180 -72.86 -51.18 19.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.773 -179.751 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -69.22 -28.73 66.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.996 179.936 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -59.62 -34.66 73.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.7 mt -54.06 -32.2 53.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.4 36.2 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 58.59 26.26 14.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.59 41.53 93.99 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -91.0 107.64 19.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.1 p -56.3 -26.68 53.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.946 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.14 -26.33 61.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.842 179.898 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -66.52 -26.77 67.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.6 mtp -64.76 -41.22 96.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -111.19 27.08 10.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -79.35 -64.74 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.815 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.0 23.38 13.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.57 26.98 4.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.54 -31.49 12.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.1 -26.59 7.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.486 ' HB1' ' CE1' ' A' ' 171' ' ' PHE . . . -60.6 -33.1 72.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.1 179.785 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -52.16 -30.53 27.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -116.28 30.15 7.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -143.26 30.13 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.792 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.56 HD22 HD12 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -101.23 -50.7 3.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 56.47 24.78 8.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.845 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.56 HD12 HD22 ' A' ' 67' ' ' LEU . 20.4 mt -81.72 159.25 66.81 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.633 0.73 . . . . 0.0 110.967 179.905 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 97.62 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.685 2.257 . . . . 0.0 112.286 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -146.49 147.33 31.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.438 HG23 HD22 ' A' ' 90' ' ' LEU . 2.7 mp -53.04 117.29 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -114.44 -64.1 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.429 ' O ' HD21 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -52.29 105.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.884 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -131.43 86.28 2.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -150.99 166.32 31.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -90.52 92.86 1.8 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.3 m -55.41 -64.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.368 . . . . 0.0 110.896 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -52.71 115.67 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 171.61 -48.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.1 m 54.66 81.17 0.11 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.19 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.41 70.18 0.5 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.514 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 52.65 55.61 8.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.922 0.392 . . . . 0.0 110.959 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.63 165.14 37.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -144.76 101.52 3.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -130.62 172.78 11.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 60.5 mt -137.9 116.08 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 -179.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 98.7 m -82.72 101.94 11.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -128.47 123.19 33.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 89' ' ' LEU . 8.7 mt -131.77 149.73 52.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.953 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -98.5 -74.7 0.58 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.749 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.1 mt 70.91 -69.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 t -51.52 -50.2 60.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.9 t -56.19 -52.33 64.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.46 -45.91 94.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.581 HD13 HG12 ' A' ' 129' ' ' ILE . 20.8 mt -55.47 -50.33 70.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 -179.836 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.648 HD22 HD11 ' A' ' 144' ' ' LEU . 0.6 OUTLIER -59.0 -49.01 79.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.866 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -51.69 64.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -57.95 -46.44 85.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.91 -179.81 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -54.63 -47.38 73.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 p -64.34 -39.08 93.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.563 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.9 m-85 -60.59 -64.04 1.09 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.873 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 pp -54.86 -40.76 70.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.23 -34.05 77.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.575 ' CE1' HG22 ' A' ' 154' ' ' THR . 15.3 t80 -70.39 -52.06 25.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.986 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 8.4 ptm -68.76 -26.0 65.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.916 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -65.1 -30.37 71.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -59.94 -40.65 89.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -120.55 93.64 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.685 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.1 mt -147.63 178.03 8.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -78.64 -176.04 4.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -63.15 -51.17 67.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -71.22 -47.58 56.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.685 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.6 mmtm -55.72 -37.86 68.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -69.98 -49.5 50.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.815 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.45 -48.06 66.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.913 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -72.28 -37.47 69.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.86 -45.13 74.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.846 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -55.67 -49.7 72.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.1 t -60.81 -40.29 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.139 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.549 HD11 HG13 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -61.49 -49.57 76.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.0 tm0? -58.8 -51.31 70.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -53.8 -53.33 53.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -54.2 -45.97 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.685 HG22 ' CD1' ' A' ' 129' ' ' ILE . 10.5 m -56.52 -51.08 69.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -63.07 -28.46 70.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.546 HG21 HD13 ' A' ' 33' ' ' LEU . 96.8 m -69.61 -56.5 7.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.109 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 pp -62.72 -34.93 78.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.685 ' CD1' HG22 ' A' ' 125' ' ' THR . 80.0 mt -69.99 -42.15 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -65.42 -42.23 92.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 43.1 mt -65.98 -50.62 68.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -63.61 -49.62 72.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -59.41 -39.41 83.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -64.23 -49.43 71.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -57.89 -52.14 66.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.3 m -65.13 -30.45 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -43.44 83.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.87 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -76.98 -30.12 55.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -54.91 29.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.878 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -136.69 -75.89 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.1 tttp 179.86 166.02 1.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.9 tp -177.79 130.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 5.5 m -153.16 151.4 11.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.175 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.648 HD11 HD22 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -152.97 154.61 31.29 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.527 ' O ' HG23 ' A' ' 146' ' ' THR . 53.8 Cg_endo -69.7 -87.19 0.0 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.206 0 C-N-CA 122.709 2.273 . . . . 0.0 112.389 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -179.13 159.12 0.96 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.669 0.747 . . . . 0.0 111.125 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.554 ' HD3' HD23 ' A' ' 97' ' ' LEU . 53.8 Cg_endo -69.71 145.8 58.56 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.706 2.271 . . . . 0.0 112.323 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 4.1 pt -119.19 -28.47 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.22 -32.47 16.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -51.05 -40.55 58.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.23 77.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 14.9 mt -56.97 -50.24 73.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.35 -62.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.575 HG22 ' CE1' ' A' ' 105' ' ' TYR . 42.6 p -52.03 -32.92 36.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.036 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -45.51 76.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.838 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -52.09 157.33 1.35 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 4.6 mp -137.16 -174.98 3.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.015 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 57.57 92.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 28.6 t -143.49 69.31 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -108.19 -65.71 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -62.38 177.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.986 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.63 79.32 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -170.21 165.38 9.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 10.8 tp 72.51 -67.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -54.43 -28.42 43.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.75 -26.37 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -69.75 -68.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.6 m -48.58 -45.69 38.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.8 mm -61.77 -50.15 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.235 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -62.25 -27.97 69.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 0.486 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -71.01 -55.34 8.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.943 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.563 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.9 pt -60.54 -37.08 73.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.628 HD21 ' SD ' ' A' ' 44' ' ' MET . 1.0 OUTLIER -67.4 -51.34 53.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.94 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -56.21 -50.65 70.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 23.0 p -59.91 -46.6 88.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.8 tp -53.38 -55.04 28.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.21 -55.06 37.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 182' ' ' VAL . 13.1 mm-40 -53.08 -41.85 65.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -60.02 -51.65 68.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.454 ' HB3' HD21 ' A' ' 38' ' ' LEU . 1.3 mp -55.43 -49.84 71.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . 0.481 ' HE2' HD22 ' A' ' 38' ' ' LEU . 11.5 mttt -55.3 -50.41 69.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 178' ' ' GLU . 82.3 t -60.94 -49.36 85.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.053 179.923 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 95.6 m -51.45 -47.58 63.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 -179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.552 ' HA ' HG22 ' A' ' 187' ' ' THR . 9.4 tp -68.51 -35.64 77.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.988 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -65.96 -29.73 70.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 47.6 t -82.48 -52.13 7.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.779 -179.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.552 HG22 ' HA ' ' A' ' 184' ' ' LEU . 10.8 t -61.4 -18.24 57.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 -179.849 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -75.03 169.55 17.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.41 -29.51 12.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 -179.978 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.896 0.379 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -109.44 80.13 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.7 p -116.92 148.8 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.73 143.72 46.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.4 mtt-85 -53.59 156.81 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.19 53.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -56.36 103.1 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.842 0.353 . . . . 0.0 110.831 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -53.1 164.98 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.7 t -92.41 -25.7 18.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.84 170.76 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -113.54 38.6 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.0 p -108.22 149.63 28.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.21 159.7 65.8 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.6 0.714 . . . . 0.0 111.156 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.88 -173.36 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.617 2.211 . . . . 0.0 112.359 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -84.22 -34.98 23.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.6 157.09 66.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.504 0.669 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 134.44 28.11 Favored 'Trans proline' 0 C--N 1.34 0.102 0 C-N-CA 122.74 2.293 . . . . 0.0 112.257 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.8 t -117.41 -15.36 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.155 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 63.68 54.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.538 HG23 ' H ' ' A' ' 29' ' ' GLN . 2.7 t -114.77 159.77 20.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.0 p -51.21 -43.73 61.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.18 -51.75 66.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.813 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.538 ' H ' HG23 ' A' ' 26' ' ' THR . 1.1 tm0? -60.32 -42.63 96.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.3 t -62.21 -54.26 36.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.731 ' O ' HG23 ' A' ' 35' ' ' THR . . . -53.82 -52.39 42.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.46 -38.68 96.17 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.507 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.708 HD11 ' HB ' ' A' ' 127' ' ' THR . 10.5 tt -64.89 -42.81 94.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.767 0.317 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.513 HD13 ' HB2' ' A' ' 184' ' ' LEU . 96.8 mt -64.4 -41.59 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.02 0.438 . . . . 0.0 111.165 179.834 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 31' ' ' GLY . 34.3 p -63.86 -46.87 83.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.049 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -62.29 -55.21 30.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.597 HG22 HD11 ' A' ' 41' ' ' ILE . 7.5 p -59.31 -32.77 49.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.667 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.9 mt -65.64 -48.44 72.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.1 t90 -63.36 -42.45 98.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.76 -49.14 77.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.597 HD11 HG22 ' A' ' 37' ' ' VAL . 37.2 mt -58.46 -46.36 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 38' ' ' LEU . 93.7 t -58.62 -46.9 90.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 179.898 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -42.0 90.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.9 ttt -66.99 -32.04 73.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -51.03 22.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.4 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -70.25 -28.93 65.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.93 -35.58 61.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.467 HD12 ' HE3' ' A' ' 114' ' ' LYS . 9.5 mp -57.02 -27.08 61.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.61 27.79 8.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.1 t30 63.21 37.95 10.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.11 42.29 54.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -99.0 112.29 24.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.68 -27.32 39.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.01 -26.39 67.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.826 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.78 -28.13 36.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.4 mmm -72.74 -29.2 63.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -118.24 28.42 8.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -89.93 -63.87 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -111.52 24.19 13.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.894 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.94 -25.83 43.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.06 -24.75 47.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 pp -102.48 -26.01 13.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 59' ' ' ASP . . . -51.68 -30.78 23.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.155 179.828 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -27.29 37.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -112.75 25.59 11.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -147.18 24.68 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.83 -62.19 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.68 19.21 7.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.41 161.02 55.58 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.648 0.737 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.88 78.27 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.834 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -115.21 158.57 22.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.475 HG23 HD21 ' A' ' 90' ' ' LEU . 3.3 mt -70.71 114.19 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -120.94 88.51 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -179.3 178.83 0.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -72.36 -25.82 61.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 63.38 81.03 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 170.26 -58.85 0.19 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.441 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 69.28 -75.51 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.881 0.372 . . . . 0.0 110.923 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -136.71 171.5 14.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -82.56 178.66 8.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.75 -173.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.15 125.58 5.51 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.443 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -52.34 -74.04 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.923 0.392 . . . . 0.0 110.918 -179.821 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -173.24 52.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.828 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.401 ' HG3' HD21 ' A' ' 139' ' ' LEU . 0.3 OUTLIER -132.16 -74.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 61.47 168.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.81 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -152.56 72.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.3 39.8 2.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.41 102.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.475 HD21 HG23 ' A' ' 72' ' ' ILE . 6.7 mt -155.86 162.85 40.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.984 179.83 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.81 -74.95 0.6 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.86 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.7 mt 70.97 -69.16 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.32 -50.21 59.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 -179.906 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -56.33 -52.65 63.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.86 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.3 -50.93 62.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.0 mp -51.86 -46.98 64.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.343 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.717 HD22 HD12 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -60.81 -49.15 78.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.003 179.805 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -53.33 59.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.422 ' CB ' HD13 ' A' ' 176' ' ' LEU . 26.4 m-85 -54.25 -50.17 67.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.832 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.471 ' HA ' HD21 ' A' ' 103' ' ' LEU . 8.6 t-80 -54.29 -45.07 72.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.898 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 p -62.2 -39.73 93.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.737 ' HB3' HD12 ' A' ' 172' ' ' ILE . 22.7 m-85 -63.46 -63.85 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.8 pp -51.77 -38.53 55.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.568 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.3 mm-40 -67.63 -37.27 82.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -66.39 -44.47 82.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 -179.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.5 ttp -74.92 -30.96 61.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -60.64 -25.94 66.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -35.33 76.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -130.03 98.53 4.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.601 HD13 ' HB3' ' A' ' 114' ' ' LYS . 6.8 mt -148.9 173.78 12.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -68.03 -176.18 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -62.23 -51.16 68.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -75.96 -43.93 42.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.601 ' HB3' HD13 ' A' ' 110' ' ' LEU . 20.9 mmtm -55.86 -36.85 68.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -53.08 23.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -52.03 -45.95 64.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -72.52 -39.13 67.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.9 -44.0 73.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.069 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 25.9 ttt85 -55.84 -49.36 73.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 73.3 t -61.68 -43.19 96.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.64 -47.23 86.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.491 ' HA ' HD13 ' A' ' 103' ' ' LEU . 1.0 OUTLIER -60.72 -50.84 71.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.904 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -53.09 57.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -54.26 44.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.7 m -54.42 -48.66 71.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.133 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -54.58 -45.88 73.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.708 ' HB ' HD11 ' A' ' 33' ' ' LEU . 57.4 m -61.25 -56.07 24.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' ' 129' ' ' ILE . 0.1 OUTLIER -52.75 -51.74 59.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.884 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.623 ' N ' HD23 ' A' ' 128' ' ' LEU . 56.5 mt -61.15 -33.77 57.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -48.07 75.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 44.3 mt -65.66 -46.7 88.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -63.72 -50.01 70.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -59.29 -40.11 85.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -63.56 -48.93 75.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -58.23 -52.14 66.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.5 p -65.38 -30.9 51.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -65.96 -43.81 86.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -79.33 -26.77 42.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.803 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.401 HD21 ' HG3' ' A' ' 85' ' ' GLN . 15.0 tp -67.88 -57.99 5.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -134.87 -75.87 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.86 -169.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.466 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.72 145.97 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.835 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.466 ' N ' HD13 ' A' ' 142' ' ' ILE . 4.1 m -132.77 117.84 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.826 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.717 HD12 HD22 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -176.02 87.2 0.28 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.639 0.733 . . . . 0.0 110.93 179.914 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.524 ' O ' HG23 ' A' ' 146' ' ' THR . 55.0 Cg_endo -69.68 -43.56 2.65 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.621 2.214 . . . . 0.0 112.381 179.809 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -175.59 159.28 2.02 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.594 0.711 . . . . 0.0 111.135 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.488 ' HD2' HG22 ' A' ' 146' ' ' THR . 54.2 Cg_endo -69.61 -170.44 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.632 2.221 . . . . 0.0 112.384 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.6 tt -128.49 -38.33 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.734 ' O ' HD12 ' A' ' 153' ' ' LEU . 0.9 OUTLIER -60.82 -22.89 64.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.893 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -49.97 -44.59 50.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.33 -36.01 76.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.045 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 34.4 mt -67.76 -54.72 17.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 149' ' ' SER . 1.6 mp -54.56 -53.76 50.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.95 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 47.2 p -60.38 -41.36 93.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -52.05 -43.35 63.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -65.09 171.92 3.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.5 tp -176.17 148.74 0.81 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.57 152.62 41.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 179.874 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.4 t -174.97 -60.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.02 164.91 20.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.803 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.84 163.72 27.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 53.23 76.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.823 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -67.9 133.65 49.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 18.3 mt -104.33 30.9 4.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -24.85 46.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -48.79 -26.53 2.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -69.54 -68.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.3 m -48.39 -36.98 15.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.214 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 34.2 mm -67.42 -53.05 35.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.28 -25.04 67.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -72.76 -55.19 7.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.737 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.3 pt -63.46 -36.08 74.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.61 -52.39 38.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.812 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -57.06 -46.68 82.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 179.838 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.9 t -60.48 -47.52 85.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.422 HD13 ' CB ' ' A' ' 99' ' ' TYR . 8.5 tp -54.93 -56.33 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.511 ' OE2' HD22 ' A' ' 38' ' ' LEU . 4.6 tm-20 -53.39 -50.93 64.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.56 ' O ' HG22 ' A' ' 182' ' ' VAL . 0.1 OUTLIER -59.97 -33.94 72.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.956 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -73.12 -29.25 62.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 8.7 mt -74.48 -50.39 18.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -60.38 -45.19 94.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.847 179.863 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 178' ' ' GLU . 33.4 m -66.87 -39.3 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.412 ' N ' HG23 ' A' ' 182' ' ' VAL . 6.2 m -63.62 -43.7 96.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.513 ' HB2' HD13 ' A' ' 34' ' ' ILE . 3.1 tm? -71.43 -36.2 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 18.1 ttt85 -68.9 -40.66 79.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.04 -52.14 21.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.797 -179.74 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.429 HG22 ' HA ' ' A' ' 184' ' ' LEU . 14.1 t -58.46 -23.27 57.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.073 -179.916 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -83.45 -28.89 28.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 63.3 16.64 9.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.975 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 -179.894 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.813 0.34 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.9 120.2 2.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.1 t -140.5 146.85 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.7 mtt-85 -142.03 78.16 1.61 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -142.03 170.58 15.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.819 -179.834 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.23 48.74 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.431 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -130.78 147.46 52.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.788 0.328 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -140.32 164.41 30.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.797 -179.848 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.6 t -116.82 -25.17 7.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.228 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -51.99 150.62 4.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.831 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -150.64 26.13 0.75 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.2 p -87.98 163.02 16.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.91 159.57 70.81 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.627 0.727 . . . . 0.0 111.176 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 177.15 5.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.323 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -143.61 48.56 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.8 mtt-85 61.64 160.79 0.11 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.568 0.699 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 109.5 2.31 Favored 'Trans proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.741 2.294 . . . . 0.0 112.365 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.64 HG22 HG23 ' A' ' 26' ' ' THR . 7.1 p -97.11 -23.45 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 63.46 46.1 4.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.683 ' O ' HG23 ' A' ' 30' ' ' VAL . 68.2 p -119.82 166.22 13.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.253 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.2 p -51.66 -41.26 61.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.17 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -61.38 -51.67 67.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -38.8 90.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 26' ' ' THR . 95.3 t -62.16 -54.18 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.712 ' O ' HG23 ' A' ' 35' ' ' THR . . . -58.27 -51.94 55.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.43 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.02 -40.91 94.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.47 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.528 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.9 OUTLIER -64.33 -48.19 76.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.727 0.299 . . . . 0.0 110.91 -179.896 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.507 HG21 ' HG ' ' A' ' 184' ' ' LEU . 24.3 mm -57.19 -42.49 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 179.844 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 31' ' ' GLY . 30.0 p -64.82 -45.57 85.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -62.0 -55.23 31.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.885 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.595 HG22 HD11 ' A' ' 41' ' ' ILE . 10.5 p -59.49 -34.05 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.578 HD21 ' HB3' ' A' ' 180' ' ' LEU . 11.0 mt -64.17 -48.53 75.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.2 t90 -63.46 -41.32 98.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.79 -45.86 92.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.595 HD11 HG22 ' A' ' 37' ' ' VAL . 25.2 mt -61.53 -46.33 96.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 38' ' ' LEU . 99.0 t -59.57 -44.66 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.08 -41.91 76.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.7 ttt -66.82 -31.82 72.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -74.65 -50.24 18.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -69.69 -28.87 66.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.897 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -54.04 -35.62 62.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.2 mt -56.1 -30.43 62.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.7 m -96.52 28.8 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 61.02 30.7 19.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.73 44.0 98.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.616 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -100.74 108.92 20.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.8 t -54.98 -27.73 46.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -35.58 81.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.35 -36.27 81.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.8 mtp -57.89 -45.24 86.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -103.14 25.89 8.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -86.01 -66.08 0.94 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.07 26.5 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -97.85 28.74 3.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.18 -25.37 14.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.01 -40.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.2 -40.04 70.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.852 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -64.56 -31.68 73.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -108.19 35.31 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.975 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -152.38 26.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.4 132.4 33.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.5 -14.0 18.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.855 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.556 HD23 ' HE1' ' A' ' 99' ' ' TYR . 8.6 mp -63.82 160.54 44.87 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.649 0.738 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 132.37 23.11 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.634 2.223 . . . . 0.0 112.357 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.09 161.06 42.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 mp -103.36 99.98 9.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -136.13 -55.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -52.15 103.4 0.06 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -159.68 72.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -60.14 -27.84 67.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.04 -77.24 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 19.2 m 54.0 38.47 28.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -170.14 166.77 8.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.835 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 53.09 34.63 17.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.94 -51.02 2.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.101 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -171.09 169.99 42.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -89.88 80.67 6.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.0 110.927 -179.799 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -167.78 -48.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -109.93 115.91 30.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -92.9 -41.85 9.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.4 pt -105.13 179.69 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.69 -171.85 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.429 ' O ' HD22 ' A' ' 90' ' ' LEU . 5.1 mp -91.57 90.04 7.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.021 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.429 HD22 ' O ' ' A' ' 89' ' ' LEU . 3.8 mm? -125.63 148.71 48.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.899 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -69.33 -74.49 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mt 71.0 -69.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.87 -50.09 57.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.5 t -54.31 -52.32 61.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -179.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.8 -44.76 96.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.599 HD22 ' CG1' ' A' ' 129' ' ' ILE . 20.5 mt -56.56 -49.05 75.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.367 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -48.97 79.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.896 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.78 -50.71 69.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.556 ' HE1' HD23 ' A' ' 69' ' ' LEU . 20.4 m-85 -58.98 -47.32 85.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.782 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -54.34 -47.19 72.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.8 m -64.34 -39.53 94.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.819 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.544 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.6 m-85 -60.23 -64.46 0.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.898 -179.826 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.407 HD12 ' HG2' ' A' ' 104' ' ' GLU . 1.4 pp -54.86 -42.6 72.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.407 ' HG2' HD12 ' A' ' 103' ' ' LEU . 4.3 mm-40 -62.13 -34.41 76.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.968 179.87 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.716 ' CE1' HG22 ' A' ' 154' ' ' THR . 15.6 t80 -69.83 -51.98 28.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 -179.867 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.5 ptt? -67.28 -26.91 66.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.562 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -61.24 -32.92 72.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.903 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -59.99 -42.32 93.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -112.34 88.79 2.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.983 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.624 HD22 ' CB ' ' A' ' 114' ' ' LYS . 9.6 mt -149.04 177.65 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -175.92 5.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.99 179.816 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.14 -51.19 68.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.863 179.825 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -68.49 -49.55 58.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.624 ' CB ' HD22 ' A' ' 110' ' ' LEU . 19.1 mmtm -55.6 -40.89 72.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -67.0 -49.8 64.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -49.8 62.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -71.67 -35.68 70.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.83 -48.08 73.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.072 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -55.53 -43.26 75.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.62 -35.6 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.07 -51.05 59.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -62.17 -40.42 95.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -62.49 -53.21 58.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.5 -47.02 76.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.638 HG22 ' CD1' ' A' ' 129' ' ' ILE . 7.0 m -58.87 -47.8 83.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.104 -179.905 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -60.81 -33.17 72.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.813 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.576 HG22 HD11 ' A' ' 131' ' ' ILE . 4.2 m -68.68 -56.28 8.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.528 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -59.96 -32.76 71.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.638 ' CD1' HG22 ' A' ' 125' ' ' THR . 66.6 mt -70.86 -45.45 73.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.067 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -64.29 -36.87 85.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.795 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.576 HD11 HG22 ' A' ' 127' ' ' THR . 13.1 mt -69.25 -52.47 32.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.409 ' O ' HG13 ' A' ' 136' ' ' VAL . 3.4 m-85 -64.23 -44.25 92.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.784 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -43.27 98.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -63.86 -43.03 97.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -52.04 65.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 132' ' ' PHE . 18.3 m -66.53 -30.35 49.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -68.57 -42.46 78.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -77.71 -29.94 51.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.84 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 28.8 tp -68.89 -50.3 50.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -138.62 -75.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 179.9 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.67 -177.78 0.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.433 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.7 143.87 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.18 179.869 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.433 ' N ' HD13 ' A' ' 142' ' ' ILE . 46.9 t -147.74 146.93 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.146 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.1 pp -127.72 154.7 77.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.678 0.751 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -87.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.279 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 178.26 147.34 0.35 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.583 0.706 . . . . 0.0 111.127 -179.882 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 110.83 2.64 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.375 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 15.3 tt -121.69 -33.93 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.194 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.07 -47.0 65.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -51.32 -47.18 62.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.29 -54.03 50.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.2 mp -51.72 -53.41 39.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.96 -64.2 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.9 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.716 HG22 ' CE1' ' A' ' 105' ' ' TYR . 70.1 p -51.53 -32.94 29.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -34.19 69.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . 0.505 ' O ' HD12 ' A' ' 157' ' ' LEU . 2.9 tttt -86.9 141.39 28.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 156' ' ' LYS . 0.2 OUTLIER -170.47 165.68 8.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.906 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 61.52 99.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 84.5 p -130.3 134.11 46.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.16 -51.37 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.86 128.19 35.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.13 171.92 14.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 7.2 m0 57.18 68.47 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -141.96 -49.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -64.77 -42.26 95.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.91 -26.46 5.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.055 -179.842 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -69.08 0.36 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.6 m -48.52 -45.16 36.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.196 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.4 ' O ' HD23 ' A' ' 173' ' ' LEU . 39.4 mm -62.72 -46.05 97.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.246 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.77 -31.95 73.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.01 -55.11 10.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.544 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.5 pt -60.3 -35.98 65.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.177 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 169' ' ' ILE . 2.9 mm? -67.41 -54.93 16.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.873 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -54.75 -47.62 73.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.3 t -61.83 -45.09 95.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.783 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.553 HD13 ' HB3' ' A' ' 99' ' ' TYR . 12.3 tp -54.86 -57.92 9.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -55.4 -53.02 61.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.562 ' O ' HG23 ' A' ' 182' ' ' VAL . 8.5 mt-10 -52.79 -49.32 65.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -60.83 -35.13 75.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.81 -179.835 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.578 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -63.67 -61.12 2.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -54.06 -45.62 71.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.818 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 178' ' ' GLU . 85.3 t -61.1 -52.84 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.123 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 87.3 m -55.22 -36.15 65.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.178 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.507 ' HG ' HG21 ' A' ' 34' ' ' ILE . 2.2 tm? -67.2 -55.99 11.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.54 -22.83 67.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 6.7 m -77.11 -48.03 18.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.7 t -71.21 -24.7 62.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.196 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 40.6 mtp85 -74.1 -41.15 62.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 41.28 84.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 -179.983 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -131.92 79.07 1.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 p -84.24 144.2 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -94.66 141.46 28.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -108.88 169.11 8.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -91.8 -38.5 5.78 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.505 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -56.48 157.7 4.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.861 0.362 . . . . 0.0 110.853 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.89 152.91 19.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.2 t -117.1 -25.33 7.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 -179.886 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -52.01 146.33 8.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -170.12 37.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 p 52.8 -173.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.166 -179.886 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.14 159.52 31.66 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.509 0.671 . . . . 0.0 111.198 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -170.95 0.43 Allowed 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.728 2.285 . . . . 0.0 112.297 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -135.18 29.81 3.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -137.8 74.18 45.49 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.596 0.713 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 84.34 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.68 2.253 . . . . 0.0 112.333 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.414 HG12 HG23 ' A' ' 26' ' ' THR . 22.6 t -74.78 -17.0 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 63.53 27.4 15.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.414 HG23 HG12 ' A' ' 24' ' ' VAL . 1.2 p -99.08 172.81 7.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.3 p -51.65 -43.27 62.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.42 -51.55 67.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.776 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -61.1 -39.28 89.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 26' ' ' THR . 90.9 t -64.69 -53.46 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.256 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.87 -52.15 50.61 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.43 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.29 -37.84 95.5 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.627 HD11 ' HB ' ' A' ' 127' ' ' THR . 9.4 tt -68.09 -35.78 78.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.828 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.48 ' CD1' HD22 ' A' ' 184' ' ' LEU . 63.8 mt -68.92 -48.66 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.1 t -63.97 -38.82 92.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -65.73 -55.25 18.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.539 HG22 HD11 ' A' ' 41' ' ' ILE . 7.0 p -60.86 -32.99 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.607 ' O ' HG23 ' A' ' 42' ' ' VAL . 12.6 mt -66.12 -48.6 70.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -62.83 -42.69 99.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -61.56 -47.78 83.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.539 HD11 HG22 ' A' ' 37' ' ' VAL . 36.8 mt -58.82 -48.33 86.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 38' ' ' LEU . 84.7 t -56.55 -52.81 48.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.093 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -56.69 -46.73 81.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -31.92 73.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -67.53 -51.31 52.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.2 pttt -72.22 -28.64 63.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -53.95 -34.24 59.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.545 HD12 ' HE3' ' A' ' 114' ' ' LYS . 7.3 mp -60.93 -28.22 68.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.6 m -96.51 27.2 3.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 61.97 28.09 17.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.38 45.06 96.71 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.519 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -100.31 112.12 24.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.84 0.353 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 p -54.84 -28.7 51.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 -179.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -63.26 -40.02 96.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -36.72 79.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.9 mtp -59.11 -30.77 68.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -120.05 26.01 9.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -86.55 -61.98 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.71 23.5 13.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -99.39 32.5 2.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.14 -26.42 7.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.065 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.32 -40.77 4.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.62 -32.1 64.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.131 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.11 -27.28 66.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -121.05 27.55 8.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -145.29 26.12 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.47 156.19 21.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.52 -24.58 8.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.777 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.11 160.52 47.57 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.634 0.731 . . . . 0.0 110.951 179.832 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.62 139.45 40.75 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.618 2.212 . . . . 0.0 112.4 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.27 151.51 42.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.452 HD11 HG13 ' A' ' 182' ' ' VAL . 10.0 pt -119.78 160.51 19.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -139.98 -70.1 0.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.96 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 62.19 35.12 15.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -121.04 -56.83 1.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -87.24 -58.58 2.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.24 161.02 31.54 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 9.0 p -117.58 157.72 25.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.812 0.339 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -157.04 -46.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.43 28.59 6.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.1 m 61.79 90.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -67.84 -152.54 0.34 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.426 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -104.6 -60.14 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 110.919 -179.802 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -66.4 -66.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.85 98.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.417 ' O ' ' CG1' ' A' ' 87' ' ' ILE . 2.8 tt0 -75.82 135.86 40.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.417 ' CG1' ' O ' ' A' ' 86' ' ' GLU . 22.0 pt 43.34 -164.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.175 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 56.8 m -133.18 149.99 52.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -171.44 173.78 4.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 tt -163.25 77.15 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -133.48 129.64 37.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.83 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.582 HG23 ' CZ ' ' A' ' 179' ' ' PHE . 79.0 mt -110.4 -22.38 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.888 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 83.3 p -63.37 -50.07 71.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.767 ' HA ' HD22 ' A' ' 144' ' ' LEU . 58.0 m -56.65 -52.0 66.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 -179.813 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.52 -51.81 56.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.522 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.593 HD22 HG12 ' A' ' 129' ' ' ILE . 57.1 mt -59.31 -47.39 85.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.69 HD13 HD21 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -59.76 -49.0 79.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.859 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.551 ' N ' HD23 ' A' ' 97' ' ' LEU . 12.5 mt-10 -55.06 -50.35 69.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -57.41 -48.29 79.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -54.1 -46.87 72.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.6 p -63.41 -40.16 96.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.824 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -60.88 -64.46 0.95 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 122' ' ' GLN . 2.0 pp -53.66 -40.04 65.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.426 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.7 OUTLIER -62.69 -38.63 91.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.951 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.453 ' CE1' HG22 ' A' ' 154' ' ' THR . 40.8 t80 -68.77 -42.46 77.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.429 ' HG2' HD11 ' A' ' 110' ' ' LEU . 2.8 ttt -70.8 -37.89 73.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -25.9 66.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.976 179.871 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -60.88 -39.01 87.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -131.8 99.45 4.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 114' ' ' LYS . 7.8 mt -148.29 171.21 16.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -68.82 -176.0 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.59 -51.03 68.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -74.29 -45.2 49.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.603 ' HB3' HD22 ' A' ' 110' ' ' LEU . 21.3 mmtm -56.0 -38.18 70.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -67.75 -51.1 53.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.851 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -53.33 -48.25 68.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -70.54 -39.36 74.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.9 -44.51 74.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.074 179.816 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -55.67 -49.45 72.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 77.3 t -61.36 -43.16 96.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.58 -49.88 73.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.481 ' HA ' HD13 ' A' ' 103' ' ' LEU . 11.9 tm0? -60.87 -50.04 75.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.895 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.95 -53.12 57.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.895 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.17 -55.0 36.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.42 HG22 ' CD1' ' A' ' 129' ' ' ILE . 5.5 m -53.32 -50.55 64.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.067 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.69 -41.83 70.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.627 ' HB ' HD11 ' A' ' 33' ' ' LEU . 31.1 m -61.94 -53.75 51.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.133 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.634 HD23 ' N ' ' A' ' 129' ' ' ILE . 0.3 OUTLIER -58.4 -52.24 66.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 179.955 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.634 ' N ' HD23 ' A' ' 128' ' ' LEU . 86.2 mt -54.5 -41.88 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.84 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -63.1 -46.94 84.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 41.4 mt -62.07 -53.08 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.532 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.4 m-85 -60.99 -41.52 96.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.899 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -59.84 -46.62 88.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -62.42 -49.98 73.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.63 -51.99 67.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.995 -179.884 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 132' ' ' PHE . 94.6 t -63.03 -31.48 52.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -41.56 77.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.28 -39.12 71.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.7 mp -73.02 -57.56 3.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.35 -169.69 2.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.863 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -115.28 153.72 30.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.445 HD12 ' H ' ' A' ' 143' ' ' VAL . 6.1 tp -177.17 141.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.073 179.821 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.445 ' H ' HD12 ' A' ' 142' ' ' ILE . 6.4 m -152.85 171.73 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.088 179.904 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.767 HD22 ' HA ' ' A' ' 94' ' ' SER . 1.0 OUTLIER -149.81 154.81 37.88 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.665 0.745 . . . . 0.0 110.904 179.939 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.523 ' O ' HG23 ' A' ' 146' ' ' THR . 53.3 Cg_endo -69.79 -86.42 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.65 2.233 . . . . 0.0 112.278 179.923 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -174.88 159.63 2.36 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.541 0.686 . . . . 0.0 111.168 -179.877 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.486 ' HD2' HG22 ' A' ' 146' ' ' THR . 53.5 Cg_endo -69.84 158.48 56.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.604 2.203 . . . . 0.0 112.323 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.7 tt -126.0 -37.35 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.623 ' O ' HD12 ' A' ' 153' ' ' LEU . 4.8 m -55.56 -26.01 41.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -51.75 -44.67 63.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.99 -40.88 95.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.09 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 28.0 mt -62.68 -56.11 20.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 149' ' ' SER . 1.0 OUTLIER -54.47 -56.61 17.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.918 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.453 HG22 ' CE1' ' A' ' 105' ' ' TYR . 80.8 p -56.82 -35.63 69.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.045 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.05 -46.94 82.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 169.04 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.04 -178.99 7.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 52.9 67.34 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.3 p -136.91 69.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 -179.712 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -117.86 -74.27 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.27 52.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.14 -172.11 2.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 18.9 p-90 -127.05 29.57 5.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.76 -52.44 2.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.07 -26.12 59.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.82 -26.44 5.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -69.63 -69.02 0.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.847 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.1 m -48.37 -45.58 35.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.9 mm -62.36 -47.58 92.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.204 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -60.84 -30.73 70.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.811 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -71.56 -55.31 8.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 16.2 pt -60.46 -37.79 75.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.177 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.405 ' CD1' HG23 ' A' ' 41' ' ' ILE . 3.6 mm? -67.44 -58.58 4.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.825 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -56.98 -41.66 78.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.784 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 72.4 m -62.19 -46.99 86.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.489 HD12 HD13 ' A' ' 180' ' ' LEU . 15.2 tp -58.35 -58.15 9.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.37 -46.99 66.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -59.59 -41.19 89.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 -179.917 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.582 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 60.3 t80 -66.87 -31.56 72.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.873 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.489 HD13 HD12 ' A' ' 176' ' ' LEU . 5.2 mp -70.78 -52.16 22.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -59.13 -46.07 89.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.452 HG13 HD11 ' A' ' 72' ' ' ILE . 7.4 p -67.39 -35.29 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.853 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.3 m -63.12 -46.61 86.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.559 ' HA ' HG22 ' A' ' 187' ' ' THR . 9.3 tp -72.09 -36.06 69.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -67.54 -31.36 71.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.07 -49.68 9.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.559 HG22 ' HA ' ' A' ' 184' ' ' LEU . 7.0 t -62.75 -19.19 63.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.135 -179.88 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 49.1 mtm180 -78.42 -45.75 21.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.32 16.62 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.064 -179.838 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.84 0.352 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -142.48 74.97 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -137.16 149.85 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.74 131.27 55.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.963 179.905 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -139.74 176.4 8.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 178.53 37.55 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.522 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -108.25 149.26 28.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -136.94 161.15 36.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 t -125.01 -36.4 2.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.185 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.539 ' CG ' HG21 ' A' ' 35' ' ' THR . 0.3 OUTLIER -92.11 146.56 23.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -173.68 36.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.7 p -88.37 174.16 8.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.19 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.93 159.45 78.61 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.698 0.761 . . . . 0.0 111.09 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 176.89 6.12 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.743 2.295 . . . . 0.0 112.348 179.891 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -155.28 51.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? 64.1 153.53 0.12 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.512 0.673 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 86.42 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.656 2.238 . . . . 0.0 112.297 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.4 m -87.25 -14.27 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 60.65 38.7 18.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.9 p -112.71 167.64 10.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.72 -36.15 34.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.915 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.25 -43.34 74.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.743 -179.786 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -62.69 -50.93 69.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.982 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 31' ' ' GLY . 18.9 m -60.73 -43.23 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.905 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.702 ' O ' HG23 ' A' ' 35' ' ' THR . . . -59.2 -53.14 48.82 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.35 -39.31 97.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.39 -179.914 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 128' ' ' LEU . 9.9 tt -65.33 -45.23 85.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.338 . . . . 0.0 110.945 -179.895 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.527 HG21 ' HG ' ' A' ' 184' ' ' LEU . 12.8 mm -59.32 -41.8 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.772 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 31' ' ' GLY . 29.8 p -66.3 -44.92 82.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -57.89 -55.24 37.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.686 HG22 ' CD1' ' A' ' 41' ' ' ILE . 8.0 p -59.43 -38.38 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.05 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.932 HD22 HD23 ' A' ' 180' ' ' LEU . 0.6 OUTLIER -56.82 -49.07 76.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.978 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -65.65 -43.82 88.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.969 179.851 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.502 ' HB3' HD11 ' A' ' 121' ' ' LEU . 1.7 mm-40 -60.11 -43.51 95.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.686 ' CD1' HG22 ' A' ' 37' ' ' VAL . 57.1 mt -63.0 -46.89 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 38' ' ' LEU . 97.6 t -58.53 -41.85 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.853 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -72.84 -42.98 63.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 -179.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.4 ttt -65.37 -31.52 72.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -77.11 -51.19 11.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.21 -28.6 68.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -55.02 -40.82 70.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.1 mt -53.96 -29.38 42.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.9 m -96.04 31.69 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.785 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.4 t30 59.31 26.53 15.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.72 43.49 98.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.524 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -98.76 117.33 32.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -26.82 63.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.827 -179.87 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -35.99 82.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -26.49 67.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.3 mtp -65.85 -38.48 88.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.859 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -113.13 29.36 8.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -86.98 -50.83 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.99 23.17 14.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -99.52 32.0 2.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.99 -26.18 6.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.162 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.23 -38.77 2.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.65 -31.96 66.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -54.17 -28.36 39.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -126.6 40.76 3.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -153.18 27.0 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.58 135.65 33.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -72.6 -26.05 61.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 mt -80.1 154.99 75.08 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.713 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 152.13 68.81 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.679 2.253 . . . . 0.0 112.388 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -144.66 146.78 32.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.422 ' HB ' HG11 ' A' ' 182' ' ' VAL . 73.9 mt -82.47 140.77 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.096 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -137.73 -59.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.8 mtm-85 -160.2 155.77 25.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.819 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.647 ' OD1' HD22 ' A' ' 90' ' ' LEU . 18.3 m120 -154.87 144.3 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.67 179.52 4.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -88.9 176.27 44.03 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.508 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 92.8 m -114.53 172.93 6.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.785 0.326 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -165.77 30.75 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -146.66 108.21 4.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 m -117.52 124.15 48.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 -179.889 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.95 37.98 6.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -159.97 -68.84 0.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.868 0.366 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -120.21 150.34 40.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -157.23 40.68 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -105.94 -31.91 8.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -103.32 29.67 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 2.3 m -120.1 145.57 46.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 62.21 176.21 0.13 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.647 HD22 ' OD1' ' A' ' 75' ' ' ASN . 0.3 OUTLIER -129.18 149.63 50.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.845 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -68.93 102.06 1.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 69.1 mt -113.47 -25.59 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.211 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.55 -50.13 66.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.9 t -57.19 -48.52 78.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.818 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.13 -52.09 54.86 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 16.7 mt -61.18 -54.51 43.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 0.0 110.937 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.839 HD13 HD11 ' A' ' 144' ' ' LEU . 0.3 OUTLIER -55.6 -48.18 75.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.973 179.862 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -54.05 -55.14 30.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.77 ' HB3' HD13 ' A' ' 176' ' ' LEU . 15.4 m-85 -54.11 -45.67 71.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.846 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.405 ' HA ' HD21 ' A' ' 103' ' ' LEU . 40.2 t-80 -56.95 -43.26 81.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.794 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -38.68 89.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.822 -179.794 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.564 ' HE1' HD13 ' A' ' 153' ' ' LEU . 13.8 m-85 -62.1 -58.33 8.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.849 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.8 pp -59.33 -37.96 79.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.564 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.7 OUTLIER -60.24 -47.75 84.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.96 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.796 ' CE1' HG22 ' A' ' 154' ' ' THR . 2.7 t80 -64.66 -45.02 88.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.837 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 13.3 ttp -66.91 -26.13 66.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.405 ' HA ' HD12 ' A' ' 110' ' ' LEU . 9.0 tmtt? -69.47 -28.61 66.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.37 -29.22 70.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -132.45 94.51 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.681 HD22 ' HB3' ' A' ' 114' ' ' LYS . 6.5 mt -148.95 173.96 12.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.13 -179.04 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.858 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.39 -51.05 70.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 179.928 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -76.1 -43.64 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.681 ' HB3' HD22 ' A' ' 110' ' ' LEU . 21.7 mmtm -55.73 -36.3 67.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.798 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -71.35 -50.55 31.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.71 -47.67 67.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -71.49 -39.22 71.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.1 -43.79 74.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.045 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -55.35 -49.9 71.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.803 -179.853 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 71.3 t -61.9 -42.31 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.502 HD11 ' HB3' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -55.36 -48.8 73.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.922 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -65.13 -41.58 94.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.92 -55.47 26.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.03 -38.61 91.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.6 HG22 HD12 ' A' ' 129' ' ' ILE . 91.4 m -58.36 -45.37 88.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -179.928 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -68.57 -38.56 80.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.5 m -64.79 -56.24 14.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.528 ' HA ' HD12 ' A' ' 131' ' ' ILE . 3.1 pp -61.37 -39.4 90.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.823 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.6 HD12 HG22 ' A' ' 125' ' ' THR . 21.7 mt -64.6 -38.34 82.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.883 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -68.35 -42.25 79.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 128' ' ' LEU . 7.7 mt -63.03 -52.09 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.572 ' O ' HG23 ' A' ' 136' ' ' VAL . 2.5 m-85 -62.14 -43.93 97.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -58.45 -45.3 88.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -54.18 44.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -44.18 72.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.633 HG12 ' O ' ' A' ' 141' ' ' LYS . 94.8 t -69.02 -35.22 67.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -64.87 -37.89 89.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.0 -22.1 24.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.782 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 16.7 tp -81.1 -58.12 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.877 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.39 36.05 1.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.633 ' O ' HG12 ' A' ' 136' ' ' VAL . 0.0 OUTLIER 63.51 -175.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.93 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -158.22 146.37 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 179.931 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 10.0 m -107.75 142.43 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.824 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.839 HD11 HD13 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -140.01 90.55 10.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.643 0.735 . . . . 0.0 110.934 179.894 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -40.23 5.53 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.623 2.216 . . . . 0.0 112.323 179.85 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.454 ' OG1' HD12 ' A' ' 144' ' ' LEU . 1.2 m 65.57 77.81 0.27 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.702 . . . . 0.0 111.114 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -179.42 2.91 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.731 2.287 . . . . 0.0 112.285 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 148' ' ' ILE . 0.9 OUTLIER -117.91 31.84 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 179.939 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.49 -43.48 96.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.858 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -51.51 -51.1 58.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -51.51 -50.95 58.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.18 179.856 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.6 mp -55.61 -49.06 73.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.564 HD13 ' HE1' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -54.44 -63.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.989 179.895 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.796 HG22 ' CE1' ' A' ' 105' ' ' TYR . 54.2 p -51.81 -34.03 38.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.181 179.917 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.94 -34.89 75.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.808 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 69.29 -75.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.889 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.67 99.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.86 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -55.95 113.22 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 15.3 m -146.47 104.62 3.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 -179.771 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 63.24 161.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.6 tptp 53.06 -170.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.23 -74.26 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -95.1 -52.92 4.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.5 tp 58.77 26.08 14.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 18.6 ttt85 -81.7 -55.13 4.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.8 -26.72 10.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -69.43 -69.89 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.809 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 95.4 m -48.98 -44.96 41.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.093 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.82 -49.67 83.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.161 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -59.72 -31.53 69.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -55.24 10.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.543 HD12 ' HB3' ' A' ' 102' ' ' TYR . 20.0 pt -62.18 -35.86 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.38 -49.36 64.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -59.59 -52.09 67.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -38.78 88.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.77 HD13 ' HB3' ' A' ' 99' ' ' TYR . 12.1 tp -59.29 -57.98 10.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.432 ' HG2' HD13 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -57.03 -52.47 65.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 182' ' ' VAL . 2.9 mt-10 -54.6 -50.43 68.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -61.9 -32.74 73.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.813 -179.913 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.932 HD23 HD22 ' A' ' 38' ' ' LEU . 6.3 tp -64.9 -59.79 3.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -55.72 -44.95 77.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 178' ' ' GLU . 80.1 t -59.52 -44.78 93.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 84.5 m -61.11 -46.89 88.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.527 ' HG ' HG21 ' A' ' 34' ' ' ILE . 1.1 tm? -58.45 -53.12 61.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -63.46 -33.95 76.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 29.1 t -64.21 -51.6 62.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 184' ' ' LEU . 10.3 t -66.86 -20.41 65.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . 0.508 ' HG3' HD13 ' A' ' 184' ' ' LEU . 1.5 mmp_? -79.97 -176.04 5.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 63.71 18.03 10.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.904 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 80.7 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.977 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.774 0.321 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -141.99 86.78 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.7 p -78.21 147.69 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -90.42 137.67 32.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -149.65 173.49 13.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.35 42.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -100.31 147.28 25.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -89.85 162.7 15.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.775 -179.83 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.6 t -116.46 -36.91 3.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.188 -179.893 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -142.77 -170.69 3.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -172.11 37.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.3 p -96.6 -179.96 4.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 -179.886 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.65 159.63 71.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.564 0.697 . . . . 0.0 111.055 -179.907 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 178.09 4.97 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.642 2.228 . . . . 0.0 112.405 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -154.4 46.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 61.56 161.0 0.11 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.626 0.727 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 93.63 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.622 2.215 . . . . 0.0 112.419 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.4 t -87.5 -16.84 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 63.52 29.36 15.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.535 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -102.35 161.07 13.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.144 179.934 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.5 p -51.61 -48.22 63.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.7 m -52.18 -51.44 58.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 -179.797 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -42.03 98.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 26' ' ' THR . 94.7 t -60.64 -54.08 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.721 ' O ' HG23 ' A' ' 35' ' ' THR . . . -57.13 -51.95 54.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.536 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.97 -40.46 93.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.527 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.541 HD11 ' HB ' ' A' ' 127' ' ' THR . 1.0 OUTLIER -63.84 -48.2 77.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.798 0.332 . . . . 0.0 110.858 -179.862 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.47 HD13 ' HB2' ' A' ' 184' ' ' LEU . 59.4 mt -57.98 -42.83 83.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.847 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 31' ' ' GLY . 30.0 p -63.73 -45.15 91.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.176 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -58.11 -55.21 37.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.703 HG22 HD11 ' A' ' 41' ' ' ILE . 9.2 p -60.18 -34.62 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.679 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -60.39 -48.72 80.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.933 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -65.69 -43.74 88.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -59.36 -44.92 92.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.703 HD11 HG22 ' A' ' 37' ' ' VAL . 41.6 mt -63.35 -50.26 79.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.08 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 38' ' ' LEU . 87.5 t -53.27 -54.84 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -58.82 -43.8 90.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.6 ttt -63.24 -31.77 73.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -71.09 -50.99 27.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -69.42 -28.52 66.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -58.21 -29.89 66.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.985 179.878 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.487 HD23 ' CE ' ' A' ' 114' ' ' LYS . 25.8 mt -59.19 -35.06 72.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.2 m -96.1 35.14 1.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.9 t30 62.71 26.2 15.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.33 42.54 90.06 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -97.67 118.75 34.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.4 p -61.7 -29.6 70.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.56 -35.21 79.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.58 -26.68 66.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 21.8 mtp -62.53 -38.27 89.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -116.13 28.7 8.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -90.11 -62.8 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.58 26.76 4.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -104.57 26.87 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.93 -30.61 6.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.408 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -106.33 -31.45 8.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.931 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.27 -28.52 69.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.823 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -61.72 -30.97 71.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -104.83 26.43 9.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.968 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -141.26 26.2 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.789 HD11 ' HE3' ' A' ' 174' ' ' LYS . 12.0 mt -116.44 123.96 48.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -115.53 26.47 10.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.801 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.49 HD23 ' HE1' ' A' ' 99' ' ' TYR . 8.6 mp -83.97 160.55 57.72 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.67 0.748 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 119.47 6.41 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.734 2.289 . . . . 0.0 112.316 179.847 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' O ' HD21 ' A' ' 90' ' ' LEU . 12.3 tt0 -148.08 160.15 43.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.603 ' HA ' HD11 ' A' ' 90' ' ' LEU . 3.7 mp -88.81 129.24 40.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.087 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -112.81 57.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 64.5 mtm-85 54.27 40.76 32.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -126.68 137.4 53.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -176.89 163.24 2.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.7 21.43 2.87 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 7.5 m -80.93 78.71 7.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -160.29 129.26 4.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 54.14 86.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.2 p -74.71 168.05 20.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.66 33.78 2.19 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -173.71 -53.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 0.0 110.97 -179.856 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -60.98 -175.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.794 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -95.96 26.11 4.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 57.06 26.1 11.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 tt -114.34 146.4 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.73 20.72 8.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 55.43 -176.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.603 HD11 ' HA ' ' A' ' 72' ' ' ILE . 0.1 OUTLIER 63.26 -172.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.903 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.474 ' H ' HD23 ' A' ' 90' ' ' LEU . 1.1 mptt -103.25 -72.71 0.69 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.843 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.9 mt 71.22 -68.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.14 179.848 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.4 m -50.69 -50.26 55.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.712 ' HA ' HD11 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -54.97 -52.45 63.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.791 -179.821 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.88 -45.02 95.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.417 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.606 HD13 HG12 ' A' ' 129' ' ' ILE . 20.7 mt -56.5 -46.83 80.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.362 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.027 HD22 HD22 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -61.11 -49.26 78.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.972 179.811 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.61 -55.92 27.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.718 ' HB3' HD13 ' A' ' 176' ' ' LEU . 23.6 m-85 -55.22 -46.13 75.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.818 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -54.13 -48.0 71.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.72 -39.75 95.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.767 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.561 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.6 m-85 -60.15 -64.27 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.557 HD23 HD22 ' A' ' 176' ' ' LEU . 1.6 pp -55.11 -36.97 66.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -35.3 80.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -70.54 -52.01 24.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.024 -179.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.698 ' HE1' HD11 ' A' ' 110' ' ' LEU . 4.7 ppp? -66.71 -27.92 68.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.931 179.814 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -64.28 -29.16 70.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.96 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -59.9 -40.25 88.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -125.74 96.94 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.698 HD11 ' HE1' ' A' ' 106' ' ' MET . 6.0 mt -146.66 177.97 8.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -77.85 -176.01 4.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -62.7 -51.37 67.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.836 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.66 -48.04 50.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.771 -179.859 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.681 ' CB ' HD22 ' A' ' 110' ' ' LEU . 20.7 mmtm -55.69 -34.49 65.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -68.52 -45.17 72.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.15 -46.18 90.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.825 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.449 ' O ' HD13 ' A' ' 121' ' ' LEU . 10.9 mmpt? -72.07 -32.08 66.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.75 88.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.07 179.844 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -61.99 -49.37 76.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.19 -32.24 56.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.449 HD13 ' O ' ' A' ' 117' ' ' LYS . 2.0 mp -65.15 -51.81 58.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -64.69 -39.85 94.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -61.03 -52.04 66.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -58.66 -47.77 83.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.621 HG22 ' CD1' ' A' ' 129' ' ' ILE . 15.4 m -54.99 -51.04 67.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.159 -179.905 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.6 -36.16 75.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.541 ' HB ' HD11 ' A' ' 33' ' ' LEU . 12.3 m -63.9 -56.17 17.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.411 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -61.84 -31.07 71.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.621 ' CD1' HG22 ' A' ' 125' ' ' THR . 63.1 mt -70.97 -39.16 74.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -38.2 71.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.4 mt -68.87 -48.54 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.186 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.561 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.6 m-85 -65.68 -45.17 83.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.851 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.439 ' OD1' HD12 ' A' ' 142' ' ' ILE . 2.9 t30 -64.16 -40.64 96.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.87 -179.8 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -63.68 -51.76 63.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.07 -51.93 67.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.871 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 132' ' ' PHE . 87.6 t -60.86 -50.18 81.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.179 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -52.03 -45.13 64.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -69.72 -34.69 74.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.834 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.49 -46.48 85.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -144.01 -75.47 0.24 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.77 163.99 1.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.439 HD12 ' OD1' ' A' ' 133' ' ' ASN . 0.0 OUTLIER -175.64 144.28 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 179.914 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.436 ' N ' HD13 ' A' ' 142' ' ' ILE . 6.2 m -152.95 -178.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.095 179.884 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 1.027 HD22 HD22 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -174.54 138.68 0.65 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.721 . . . . 0.0 110.871 179.95 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -86.81 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 177.81 147.97 0.35 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.54 0.686 . . . . 0.0 111.231 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.592 ' HD3' HD23 ' A' ' 97' ' ' LEU . 54.6 Cg_endo -69.7 151.98 69.5 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.705 2.27 . . . . 0.0 112.349 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 16.0 tt -116.85 -17.59 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.064 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.3 m -51.66 -30.48 21.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -51.61 -50.9 59.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -58.92 -42.88 90.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.5 mp -56.97 -62.08 1.99 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 7.9 mt -52.01 -55.11 22.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 40.7 p -53.98 -33.5 57.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.71 -42.13 71.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -94.9 118.51 31.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 7.6 tp -163.11 37.26 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -79.34 161.47 26.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.24 97.64 8.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 -179.787 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -127.44 157.29 40.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -119.63 47.9 1.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -128.63 137.88 51.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -79.38 66.25 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.49 -34.4 9.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -54.25 -32.19 55.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -26.74 6.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -69.3 -69.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.7 m -48.44 -44.94 35.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.546 HG22 HD12 ' A' ' 173' ' ' LEU . 38.9 mm -63.25 -45.18 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -63.43 -31.25 72.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.982 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -55.4 8.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.817 -179.868 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' A' ' 102' ' ' TYR . 13.3 pt -59.15 -39.29 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.546 HD12 HG22 ' A' ' 169' ' ' ILE . 9.1 mt -67.67 -47.02 70.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.869 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.789 ' HE3' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -56.63 -50.85 70.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.762 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.79 -45.73 92.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.848 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.718 HD13 ' HB3' ' A' ' 99' ' ' TYR . 16.0 tp -52.85 -52.89 55.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.49 ' OE1' HG22 ' A' ' 42' ' ' VAL . 3.9 tt0 -59.67 -52.42 65.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.913 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -53.0 -48.11 67.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -65.28 -32.88 74.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.841 -179.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.436 HD12 HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -64.1 -64.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.942 179.953 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . 0.549 ' HD2' HG23 ' A' ' 182' ' ' VAL . 0.0 OUTLIER -56.54 -42.86 79.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.905 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.549 HG23 ' HD2' ' A' ' 181' ' ' LYS . 25.1 t -61.94 -52.64 58.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 179.833 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 37.5 m -55.48 -39.46 70.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.496 ' O ' HD22 ' A' ' 184' ' ' LEU . 1.4 tm? -64.23 -56.14 16.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . 0.483 ' N ' HD13 ' A' ' 184' ' ' LEU . 17.3 ptp180 -62.75 -24.31 67.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.879 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 38.4 t -74.24 -47.22 36.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 184' ' ' LEU . 9.0 t -70.44 -25.04 63.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -56.93 169.83 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -85.71 -18.06 34.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.266 -179.908 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.8 0.334 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -113.59 76.58 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.4 t -114.51 126.04 71.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.38 96.53 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.3 178.51 7.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.95 -32.53 0.56 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.15 118.17 2.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.37 170.79 5.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.913 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 t -114.98 -25.95 7.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 -179.856 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -121.17 158.64 27.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -155.72 31.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 t -154.03 153.91 32.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.088 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.87 159.58 36.91 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.642 0.734 . . . . 0.0 111.109 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -179.71 3.13 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.591 2.194 . . . . 0.0 112.372 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -102.59 -29.02 11.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.67 157.03 28.22 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 123.28 9.98 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.662 2.242 . . . . 0.0 112.422 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.415 HG12 HG23 ' A' ' 26' ' ' THR . 16.2 t -101.0 -14.94 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.19 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 60.12 24.21 13.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.953 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.415 HG23 HG12 ' A' ' 24' ' ' VAL . 3.9 p -103.35 172.9 6.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.213 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.76 -35.0 41.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.177 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.57 -45.31 72.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.871 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.83 -51.33 69.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 31' ' ' GLY . 20.7 m -61.29 -41.88 91.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 35' ' ' THR . . . -59.1 -52.47 53.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.47 -37.93 95.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.507 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.686 HD21 ' O ' ' A' ' 124' ' ' ASP . 5.2 tt -65.96 -38.75 89.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.766 0.317 . . . . 0.0 110.837 -179.903 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.495 HG21 ' HG ' ' A' ' 184' ' ' LEU . 12.7 mm -67.05 -42.59 88.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.089 179.864 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 31' ' ' GLY . 60.6 p -65.05 -47.9 75.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.219 179.901 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -61.39 -55.07 35.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.622 HG22 HD11 ' A' ' 41' ' ' ILE . 9.7 p -59.18 -33.48 50.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.649 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.2 mt -63.98 -48.33 76.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -64.66 -41.61 95.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -62.75 -45.28 93.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.622 HD11 HG22 ' A' ' 37' ' ' VAL . 33.5 mt -62.28 -44.11 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 38' ' ' LEU . 99.4 t -60.98 -45.24 98.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 179.852 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -69.63 -44.1 71.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.1 ttp -65.27 -31.84 73.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -74.29 -51.12 16.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.53 -28.7 67.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -59.95 -35.0 74.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.477 HD23 ' HE3' ' A' ' 114' ' ' LYS . 20.8 mt -53.87 -31.92 51.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.54 31.1 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.6 27.91 17.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.973 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.7 44.09 98.02 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -87.04 105.99 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 p -54.98 -27.95 47.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.886 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -34.99 41.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 49.2 t -62.1 -25.96 68.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.7 mtp -67.57 -34.81 77.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -125.55 35.6 4.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -84.71 -74.24 0.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -108.34 39.11 2.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.903 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.72 25.68 4.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.0 -31.75 14.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.57 -28.78 5.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.668 ' HB1' ' CE1' ' A' ' 171' ' ' PHE . . . -56.75 -33.27 66.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.181 179.802 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -64.34 -24.74 67.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -109.59 27.98 9.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -135.62 20.11 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -93.88 -38.57 11.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.11 20.99 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.793 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mp -84.2 160.73 56.74 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.625 0.726 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 81.78 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.589 2.193 . . . . 0.0 112.332 179.883 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.04 160.96 13.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.406 HG23 HD13 ' A' ' 90' ' ' LEU . 5.0 mt -81.59 143.98 11.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.16 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.18 131.51 8.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -54.86 139.53 39.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -135.72 150.01 49.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -81.4 164.15 22.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.29 -65.15 0.29 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 7.7 p -120.4 157.3 29.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.843 0.354 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -168.2 -44.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.982 -179.883 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -110.19 173.14 6.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.2 t -72.23 147.15 46.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 162.05 -170.29 37.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.526 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 56.87 37.76 29.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.872 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.3 m120 72.19 -69.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -156.23 96.16 1.66 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -172.07 85.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 mt -112.52 105.11 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.084 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 29.7 p -72.17 140.08 48.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.1 tp -152.83 37.07 0.5 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.406 HD13 HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER 63.19 -169.71 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.93 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.83 -63.45 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.855 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.9 mt 72.29 -63.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.188 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.6 p -50.36 -47.96 55.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 98.1 p -56.11 -52.52 64.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.906 -179.818 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.95 -51.19 59.7 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.438 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.646 HD23 HG12 ' A' ' 129' ' ' ILE . 2.1 mp -51.95 -49.98 62.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.93 -49.33 75.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.951 179.841 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.13 -48.98 67.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -58.69 -46.86 86.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -54.34 -46.24 72.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.801 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -39.22 93.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.749 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.707 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.2 m-85 -59.35 -63.77 1.18 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.905 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 122' ' ' GLN . 2.4 pp -53.65 -43.62 68.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.606 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.3 mm-40 -55.88 -43.61 77.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -64.84 -42.24 95.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.843 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.537 ' HG2' HD11 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -66.81 -37.06 83.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.88 179.895 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.577 ' HE3' ' HB1' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -51.3 -40.06 58.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.66 -26.7 64.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -134.92 92.07 2.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.823 HD22 ' HB3' ' A' ' 114' ' ' LYS . 10.9 mt -149.42 154.06 38.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.005 179.883 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -65.82 -177.85 0.51 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.955 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.9 -51.25 67.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -70.84 -45.49 64.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.823 ' HB3' HD22 ' A' ' 110' ' ' LEU . 19.1 mmtm -55.62 -45.79 77.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -47.53 84.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.07 -50.55 66.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 179.786 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -68.25 -36.98 80.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.577 ' HB1' ' HE3' ' A' ' 107' ' ' LYS . . . -55.1 -49.09 72.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.851 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -52.82 -37.04 59.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 88.4 t -72.81 -37.79 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.4 mp -66.38 -51.11 60.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.626 ' HB3' HD13 ' A' ' 103' ' ' LEU . 1.5 pp0? -63.17 -45.24 92.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -56.43 -52.21 65.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.686 ' O ' HD21 ' A' ' 33' ' ' LEU . 32.8 m-20 -57.87 -55.02 40.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.794 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.6 m -55.64 -44.51 77.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.27 -53.53 52.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.563 HG22 HD11 ' A' ' 131' ' ' ILE . 98.2 m -62.49 -36.56 82.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.067 -179.867 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.571 HD23 HD22 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -63.14 -51.94 64.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.993 179.92 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.646 HG12 HD23 ' A' ' 96' ' ' LEU . 7.5 mt -61.01 -38.43 79.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.23 179.729 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -46.24 89.17 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 179.848 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.563 HD11 HG22 ' A' ' 127' ' ' THR . 19.1 mt -63.29 -53.48 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.18 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -59.69 -50.3 74.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -57.9 -38.7 76.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -63.55 -50.15 70.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -52.19 66.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.791 -179.858 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.4 m -64.9 -30.01 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -69.06 -38.74 79.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.891 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.25 -39.43 59.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.829 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.2 -50.26 28.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -139.72 -169.83 2.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -99.31 172.72 7.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.8 tp -176.03 146.85 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.853 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 21.8 m -108.81 -174.49 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.851 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.25 141.66 22.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.594 0.711 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -47.89 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.755 2.303 . . . . 0.0 112.349 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.8 m 65.16 75.08 0.37 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.601 0.715 . . . . 0.0 111.155 -179.88 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 157.97 58.41 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.1 tt -118.23 -14.38 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.479 ' O ' HD12 ' A' ' 153' ' ' LEU . 0.5 OUTLIER -50.77 -33.63 24.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 -179.961 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -52.03 -51.02 60.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.72 -42.14 67.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.97 -54.16 45.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 149' ' ' SER . 1.0 OUTLIER -51.8 -58.26 6.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 179.834 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -42.02 87.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -52.58 -40.04 62.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -77.97 169.45 18.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.6 tt -127.74 -54.23 1.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 60.3 98.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.84 -64.18 1.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.842 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -173.82 -42.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -50.32 65.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -57.37 179.47 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 20.1 p-90 -51.85 146.99 7.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.6 mp -77.55 145.61 36.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -81.32 -18.14 46.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.965 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 4.5 m -50.68 -26.49 5.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -69.72 -69.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 90.5 m -48.46 -44.28 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.2 mm -63.7 -46.89 93.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -62.44 -31.27 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 0.668 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 1.1 m-85 -70.78 -55.26 8.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.707 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.6 pt -60.03 -36.78 69.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.149 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.45 -53.44 28.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -56.82 -44.97 82.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.823 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.5 t -63.94 -41.93 97.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 13.0 tp -58.95 -49.29 78.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -61.81 -57.44 11.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.661 ' O ' HG23 ' A' ' 182' ' ' VAL . 0.0 OUTLIER -53.59 -49.24 68.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.863 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -61.39 -41.48 97.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.417 HD23 ' HG ' ' A' ' 38' ' ' LEU . 27.7 tp -56.74 -48.67 77.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.949 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -64.22 -45.99 85.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.962 179.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 178' ' ' GLU . 60.8 t -61.76 -35.9 70.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.052 179.852 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.459 ' O ' HG22 ' A' ' 187' ' ' THR . 60.5 m -71.59 -41.86 68.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.594 ' O ' HD13 ' A' ' 184' ' ' LEU . 1.5 tm? -64.79 -41.28 95.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.99 -35.09 62.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 94.5 p -65.53 -52.03 55.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 -179.734 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 183' ' ' THR . 14.8 t -67.18 -22.92 65.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -81.32 170.75 15.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.33 -18.19 61.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 36.9 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.153 -179.879 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 82.0 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.819 0.343 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -151.78 91.5 1.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.999 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.7 t -142.85 123.79 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -154.32 69.54 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -134.76 -179.65 5.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.94 40.42 4.92 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.496 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.06 103.88 3.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.832 0.348 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.418 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.2 OUTLIER -137.06 159.93 40.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.865 -179.857 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.3 t -123.15 -35.68 2.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.06 174.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.915 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -158.36 49.79 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 p 47.23 90.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.81 159.7 60.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.507 0.67 . . . . 0.0 111.1 -179.911 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.87 -170.78 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.255 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.31 -24.18 9.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mmm-85 -117.39 155.95 49.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 81.06 0.82 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.709 2.273 . . . . 0.0 112.378 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.404 ' O ' HG12 ' A' ' 24' ' ' VAL . 19.3 t -74.95 -10.49 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.058 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 63.82 24.89 13.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.448 ' O ' HG23 ' A' ' 30' ' ' VAL . 1.3 p -87.93 165.66 15.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -51.59 -45.97 63.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.84 -51.33 57.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.774 -179.766 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -36.32 79.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 26' ' ' THR . 97.9 t -63.54 -54.16 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.164 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.716 ' O ' HG23 ' A' ' 35' ' ' THR . . . -59.37 -51.83 56.81 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.47 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.16 -42.95 95.51 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.463 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.772 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.5 OUTLIER -63.25 -50.79 68.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.77 0.319 . . . . 0.0 110.892 -179.904 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.601 ' N ' HD23 ' A' ' 33' ' ' LEU . 7.6 mm -53.98 -44.63 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 31' ' ' GLY . 32.1 p -64.73 -42.37 95.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -59.0 -55.36 36.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.7 HG22 HD11 ' A' ' 41' ' ' ILE . 7.2 p -61.06 -36.4 72.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.652 HD11 ' HG2' ' A' ' 181' ' ' LYS . 1.1 mm? -59.72 -48.2 82.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -66.38 -41.17 89.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.965 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -61.59 -42.67 99.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.7 HD11 HG22 ' A' ' 37' ' ' VAL . 32.9 mt -66.08 -49.01 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 38' ' ' LEU . 86.0 t -55.84 -49.48 74.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.102 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.1 -41.13 95.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -31.93 73.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -73.37 -51.24 18.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -28.81 67.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -59.9 -34.6 73.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.0 mt -53.95 -36.17 62.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 57.2 m -96.27 37.24 1.26 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 61.94 26.64 16.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.37 24.39 76.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -79.93 108.5 13.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m -56.1 -33.53 65.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.81 -179.799 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -58.53 -30.18 66.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.7 t -66.55 -32.08 73.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 33.7 mtp -66.5 -28.7 68.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.783 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -121.08 27.7 8.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.92 0.39 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -83.2 -61.41 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -100.12 32.88 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.02 27.59 3.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.75 -26.76 8.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 179.858 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.82 -34.19 3.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.602 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -51.85 -39.18 58.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.043 179.834 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -55.65 -30.95 61.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -103.41 26.3 8.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -140.43 26.12 2.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -110.02 129.24 55.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.74 25.9 5.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.837 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.665 HD12 ' CB ' ' A' ' 175' ' ' SER . 1.6 mt -83.86 155.01 64.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.543 0.687 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 114.16 3.62 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.643 2.229 . . . . 0.0 112.308 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -146.54 160.58 41.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.8 mt -71.18 105.92 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.098 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -97.83 149.45 22.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 60.84 171.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -158.79 45.12 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.74 176.41 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.39 -59.37 4.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 24.8 m 55.96 47.34 20.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.369 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -141.26 30.18 1.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -108.49 -174.17 2.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.79 171.04 0.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -99.63 97.92 1.86 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.446 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -150.94 169.55 21.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.923 0.392 . . . . 0.0 110.834 -179.76 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -106.15 46.44 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.969 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -110.45 168.68 9.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.416 ' O ' ' CG1' ' A' ' 87' ' ' ILE . 2.8 tp10 -127.18 109.54 11.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 -179.908 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.416 ' CG1' ' O ' ' A' ' 86' ' ' GLU . 22.0 pt 43.38 -164.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 7.4 p -130.41 156.19 45.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.2 mp -139.3 178.67 7.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -121.64 -72.43 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -139.22 -70.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.3 mt 71.07 -69.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.666 ' HB2' HD11 ' A' ' 142' ' ' ILE . 35.5 t -50.7 -45.73 58.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.812 -179.817 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.6 p -54.02 -52.27 61.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.844 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.44 -46.01 91.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.541 HD21 HD11 ' A' ' 128' ' ' LEU . 15.4 mt -54.28 -48.98 70.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.364 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -49.11 75.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.84 -50.93 69.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -58.74 -47.75 83.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.44 ' HA ' HD21 ' A' ' 103' ' ' LEU . 39.3 t-80 -54.33 -45.05 72.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.15 -36.84 82.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.827 -179.762 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -63.78 -60.21 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 104' ' ' GLU . 1.4 pp -57.32 -47.16 82.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.466 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -55.87 -45.74 78.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.893 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.735 ' CD1' HG22 ' A' ' 154' ' ' THR . 2.5 t80 -61.52 -48.61 80.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.983 -179.84 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.435 ' HG2' HD11 ' A' ' 110' ' ' LEU . 3.9 ttt -63.94 -29.39 70.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.94 179.833 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -27.31 68.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -60.07 -41.82 93.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -127.98 97.71 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.681 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.8 mt -149.16 178.11 9.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.988 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -82.12 -178.2 6.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 179.854 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -61.39 -51.47 68.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.862 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -68.19 -50.6 53.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.681 ' CB ' HD22 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -54.78 -39.81 68.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.911 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -49.75 59.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.817 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -51.82 -46.37 64.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -76.09 -31.91 58.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.84 -44.58 90.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -55.81 -49.4 73.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 89.0 t -62.09 -42.95 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.531 HD21 HG12 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -60.29 -48.01 83.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.98 179.903 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -51.12 71.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -53.8 -51.92 61.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -55.89 -47.29 77.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.545 HG22 ' CD1' ' A' ' 129' ' ' ILE . 11.3 m -54.46 -51.28 65.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.898 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.63 -33.02 74.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.538 ' HB ' HD11 ' A' ' 33' ' ' LEU . 24.4 m -69.54 -56.24 7.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.122 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.772 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.2 pp -60.48 -33.8 73.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.545 ' CD1' HG22 ' A' ' 125' ' ' THR . 67.9 mt -70.02 -44.67 78.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.78 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -62.54 -48.37 79.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.4 mt -62.25 -48.65 87.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.462 ' O ' HG23 ' A' ' 136' ' ' VAL . 4.2 m-85 -63.77 -39.93 95.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -60.32 -47.44 86.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -63.86 -50.55 68.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.12 -50.26 74.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.695 HG12 ' O ' ' A' ' 141' ' ' LYS . 73.4 t -64.58 -33.53 63.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -65.41 -43.21 91.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -82.73 -20.13 36.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.79 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.6 tp -81.8 -58.21 3.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -147.08 34.18 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.844 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.695 ' O ' HG12 ' A' ' 136' ' ' VAL . 1.3 tttm 63.74 -169.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.666 HD11 ' HB2' ' A' ' 93' ' ' SER . 8.0 tp -157.12 147.56 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.191 179.929 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.34 150.29 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.179 179.85 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.492 HD12 ' OG1' ' A' ' 146' ' ' THR . 0.1 OUTLIER -115.22 93.68 36.41 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.54 0.686 . . . . 0.0 110.919 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -45.04 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.61 2.207 . . . . 0.0 112.315 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.492 ' OG1' HD12 ' A' ' 144' ' ' LEU . 1.1 m 64.53 83.01 0.2 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.6 0.715 . . . . 0.0 111.176 -179.895 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 152.27 69.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.9 tt -115.24 -10.7 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.99 -34.99 10.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -51.39 -49.1 62.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.08 79.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 21.5 mt -56.66 -53.39 58.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -54.5 -62.65 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.996 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.735 HG22 ' CD1' ' A' ' 105' ' ' TYR . 65.9 p -53.52 -32.78 51.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.828 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -70.62 -31.71 68.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -83.63 119.64 25.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 7.0 tp -160.49 121.87 3.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -154.89 -62.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.959 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 14.4 m -83.05 94.16 7.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.985 -179.881 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -75.77 -37.28 59.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -131.33 93.85 3.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -178.95 157.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.821 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.72 109.19 15.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.94 -43.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.951 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -67.86 -25.81 65.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.57 -26.66 5.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.112 -179.91 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -69.0 -69.06 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 93.8 m -48.54 -44.82 36.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.172 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.2 mm -62.66 -44.88 99.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.174 179.849 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -34.22 75.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -54.94 12.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.837 -179.876 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 22.0 pt -60.1 -35.75 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 173' ' ' LEU . 18.1 mt -67.18 -52.97 34.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -56.37 -47.2 79.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.795 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.665 ' CB ' HD12 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -60.87 -47.92 84.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.872 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.4 tp -54.3 -52.2 62.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -57.09 -57.13 13.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -52.87 -46.52 67.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -54.88 -53.05 60.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.796 -179.832 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.23 -42.89 74.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . 0.652 ' HG2' HD11 ' A' ' 38' ' ' LEU . 5.4 mtmt -57.85 -60.34 3.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 179.875 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.23 -31.81 49.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.162 179.87 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 55.1 m -62.61 -45.11 94.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 184' ' ' LEU . 4.6 tp -71.78 -44.97 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -22.67 66.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 37.8 t -82.59 -51.64 7.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 7.5 t -56.28 -28.58 59.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 -179.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -72.4 135.2 45.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.808 -179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -115.14 -19.82 10.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.969 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -81.8 74.43 8.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.5 p -72.12 145.11 12.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.3 109.65 14.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -95.6 -179.37 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.874 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.04 40.53 4.86 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.459 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -89.12 65.53 7.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.761 0.315 . . . . 0.0 110.827 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.1 t80 62.39 175.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 t -89.28 -34.27 16.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 43.94 -163.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -160.7 84.19 0.68 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 p 53.03 -174.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.47 159.6 36.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.547 0.689 . . . . 0.0 111.161 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -170.3 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.606 2.204 . . . . 0.0 112.423 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -95.34 25.52 4.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.3 mtm-85 -114.11 74.18 2.69 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.556 0.693 . . . . 0.0 110.836 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 81.69 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.777 2.318 . . . . 0.0 112.337 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.7 t -70.84 -11.3 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.11 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 63.84 28.01 14.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.971 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.28 169.94 10.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 -179.908 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.5 p -51.74 -44.43 63.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.177 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.4 -51.46 58.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -61.19 -40.64 94.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.5 t -61.6 -54.3 36.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.93 -51.91 54.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.37 -38.46 93.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.647 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.6 OUTLIER -66.69 -37.85 85.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.7 0.286 . . . . 0.0 110.832 -179.873 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.568 HG22 HD12 ' A' ' 38' ' ' LEU . 23.4 mm -65.8 -51.24 64.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 t -61.87 -38.36 88.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -66.47 -55.59 14.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.484 HG22 HD11 ' A' ' 41' ' ' ILE . 7.8 p -61.23 -32.53 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.675 ' O ' HG23 ' A' ' 42' ' ' VAL . 9.8 mt -66.62 -48.55 69.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.4 t90 -63.29 -41.11 98.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.958 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -62.56 -48.7 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.484 HD11 HG22 ' A' ' 37' ' ' VAL . 46.3 mt -59.07 -46.79 91.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.047 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 38' ' ' LEU . 90.2 t -57.53 -54.74 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -56.78 -44.25 81.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.629 ' SD ' HD21 ' A' ' 173' ' ' LEU . 0.0 OUTLIER -65.98 -31.88 73.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.616 ' HA ' HD23 ' A' ' 173' ' ' LEU . 0.2 OUTLIER -67.68 -51.21 52.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.2 pttt -70.24 -28.63 65.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.47 -35.99 66.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.7 mt -61.22 -30.13 70.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 79.6 m -96.04 34.2 1.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 62.63 27.75 16.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.36 37.23 93.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.472 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -97.49 124.62 41.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -29.57 69.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.827 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.9 -41.28 77.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.32 -34.41 68.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.0 mtp -62.69 -29.05 70.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -119.82 27.16 8.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -97.24 -64.01 1.08 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.12 21.61 7.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -97.53 26.56 4.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.53 -29.69 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.73 -36.86 5.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.29 -39.3 63.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.788 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -59.79 -26.11 65.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -106.5 26.06 10.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -142.16 25.75 1.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.6 mt -118.51 132.8 56.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.14 23.37 12.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.854 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.467 HD12 ' OG ' ' A' ' 175' ' ' SER . 2.1 mt -83.99 154.64 64.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 122.07 8.76 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.718 2.278 . . . . 0.0 112.334 179.826 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -145.79 160.58 41.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.6 mp -91.48 134.88 28.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.72 174.92 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -69.75 107.44 3.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -143.62 33.51 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.918 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 71.19 -70.11 0.16 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.842 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 142.72 172.99 14.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.5 m -104.02 101.91 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -99.67 96.35 7.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 61.79 89.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.1 t -66.61 147.9 52.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.106 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -137.17 -174.29 13.26 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.435 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -32.7 72.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 110.958 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -125.98 139.34 53.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 60.54 -173.17 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 57.91 56.0 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.823 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 13.7 tt -116.97 144.32 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 10.5 m -103.85 -33.72 8.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 57.56 32.95 22.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 86.6 mt -97.09 158.32 15.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -96.56 -71.25 0.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.889 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.1 mt 70.79 -69.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 t -50.89 -49.59 59.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.812 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -53.96 -52.38 60.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.89 -46.01 95.0 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.401 HD13 HG12 ' A' ' 129' ' ' ILE . 16.7 mt -54.01 -49.01 69.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.809 0.338 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.91 HD11 HD22 ' A' ' 144' ' ' LEU . 2.1 mt -62.13 -49.11 77.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.859 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.54 -51.9 66.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -56.83 -49.43 75.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.002 -179.892 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.495 ' HA ' HD21 ' A' ' 103' ' ' LEU . 52.7 t-80 -54.13 -45.53 71.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.926 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.85 -39.58 94.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.797 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.451 ' HB3' HD12 ' A' ' 172' ' ' ILE . 21.5 m-85 -64.35 -64.45 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.495 HD21 ' HA ' ' A' ' 100' ' ' HIS . 2.2 pp -51.67 -42.07 61.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.822 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.455 ' HG2' HD12 ' A' ' 103' ' ' LEU . 4.6 mm-40 -64.23 -39.13 93.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.805 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.739 ' CE1' HG22 ' A' ' 154' ' ' THR . 5.9 t80 -63.73 -45.51 89.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.767 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 12.9 ptm -73.58 -31.01 63.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.852 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.714 ' HA ' HD12 ' A' ' 110' ' ' LEU . 1.1 tmtt? -51.71 -38.73 56.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.907 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.93 -44.21 94.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -104.32 84.27 2.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 107' ' ' LYS . 13.6 mt -149.18 177.77 9.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -84.7 -176.0 6.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.839 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -51.27 69.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.883 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.54 -50.65 57.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.855 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.565 ' HB3' HD13 ' A' ' 110' ' ' LEU . 9.1 mttt -55.62 -37.35 68.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -65.95 -53.08 43.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -52.96 -45.14 67.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.817 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -71.34 -37.3 71.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.2 -46.36 79.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.814 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -55.53 -38.27 69.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 85.9 t -72.7 -36.99 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.43 HD11 HG13 ' A' ' 41' ' ' ILE . 1.3 mp -66.44 -51.64 54.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -64.11 -44.16 93.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -59.06 -49.29 78.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -59.23 -47.31 85.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.681 HG22 ' CD1' ' A' ' 129' ' ' ILE . 10.5 m -55.46 -51.25 67.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 -179.9 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -59.01 -38.52 79.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.429 HG22 ' CD1' ' A' ' 131' ' ' ILE . 89.2 m -63.92 -54.35 36.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.885 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.647 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -62.42 -30.69 71.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.972 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.681 ' CD1' HG22 ' A' ' 125' ' ' THR . 48.6 mt -70.92 -40.65 76.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.845 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -70.64 -39.23 73.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.429 ' CD1' HG22 ' A' ' 127' ' ' THR . 27.3 mt -66.78 -51.6 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -63.32 -48.53 77.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -59.84 -40.48 88.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -63.79 -48.8 75.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.604 ' O ' HD12 ' A' ' 139' ' ' LEU . 1.0 OUTLIER -57.89 -52.14 66.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.837 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.4 m -65.8 -30.41 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.103 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -43.94 85.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -77.43 -30.61 53.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 135' ' ' GLU . 0.3 OUTLIER -70.49 -48.48 55.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -140.42 -75.59 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.79 168.26 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.409 HD12 ' H ' ' A' ' 143' ' ' VAL . 6.0 tp -177.28 138.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.115 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.409 ' H ' HD12 ' A' ' 142' ' ' ILE . 6.2 m -152.95 173.19 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.862 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.91 HD22 HD11 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -149.92 154.5 37.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.629 0.728 . . . . 0.0 110.861 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.518 ' O ' HG23 ' A' ' 146' ' ' THR . 53.9 Cg_endo -69.73 -87.0 0.0 OUTLIER 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.686 2.257 . . . . 0.0 112.411 179.789 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -178.52 158.94 1.09 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.509 0.671 . . . . 0.0 111.238 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.51 ' HD2' HG22 ' A' ' 146' ' ' THR . 53.7 Cg_endo -69.8 119.64 6.55 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.637 2.225 . . . . 0.0 112.37 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.5 tt -128.88 -38.5 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 15.1 m -51.88 -36.02 47.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -50.75 -49.37 58.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.04 -48.52 75.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.0 mt -54.78 -55.0 34.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.07 -62.53 1.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.739 HG22 ' CE1' ' A' ' 105' ' ' TYR . 67.8 p -51.13 -32.92 24.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -30.98 45.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.9 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -66.07 -174.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.457 HD23 ' HB2' ' A' ' 159' ' ' SER . 0.1 OUTLIER -61.21 106.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.947 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -68.09 -27.94 66.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.457 ' HB2' HD23 ' A' ' 157' ' ' LEU . 0.5 OUTLIER -55.62 175.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.901 -179.82 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -93.88 45.32 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -156.11 35.89 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -55.02 157.47 3.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -77.04 105.18 7.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 58.76 54.12 5.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -65.4 -42.82 92.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.795 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.64 -26.46 5.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.149 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -69.62 -69.03 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 70.8 m -48.5 -46.39 38.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 37.8 mm -60.92 -51.01 78.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -61.81 -27.96 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.52 -55.25 9.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.451 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.9 pt -61.1 -36.52 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.629 HD21 ' SD ' ' A' ' 44' ' ' MET . 1.0 OUTLIER -67.35 -49.71 62.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.901 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.4 ttpp -61.02 -48.06 83.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.809 179.84 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.467 ' OG ' HD12 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -61.45 -40.18 93.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.832 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 12.9 tp -63.37 -49.74 72.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -57.24 13.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -56.71 -36.04 69.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.445 ' HA ' HG12 ' A' ' 182' ' ' VAL . 36.0 t80 -70.14 -31.79 69.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 28.7 mt -72.22 -45.77 58.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.75 -43.95 87.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.794 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 179' ' ' PHE . 7.3 p -69.02 -34.0 61.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.883 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 6.1 m -69.09 -48.36 62.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.193 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.572 ' O ' HD13 ' A' ' 184' ' ' LEU . 3.3 tm? -71.32 -31.66 67.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -73.22 -38.44 66.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 6.5 t -73.48 -51.98 15.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.5 t -51.63 -31.49 25.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.47 138.69 39.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -105.31 16.51 25.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 13.9 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 -179.884 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.5 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.838 0.351 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.57 84.52 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.4 p -56.55 134.85 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.1 mmt-85 -141.76 148.61 39.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.8 mtm180 -88.26 -179.67 6.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.858 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.24 -43.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.48 144.5 48.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -89.54 178.64 6.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 t -123.31 -35.22 2.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.049 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.01 -170.25 2.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -172.21 42.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.7 p -128.1 152.37 48.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.104 -179.833 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.21 159.67 71.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 111.214 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -171.26 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.753 2.302 . . . . 0.0 112.362 179.956 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -98.58 -30.95 12.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -144.5 155.97 56.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.566 0.698 . . . . 0.0 110.937 179.903 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 108.3 2.06 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.415 HG12 HG23 ' A' ' 26' ' ' THR . 21.8 t -101.53 -13.05 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 63.48 24.89 14.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.005 -179.833 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.458 ' O ' HG23 ' A' ' 30' ' ' VAL . 1.2 p -93.01 163.94 13.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.093 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -51.56 -47.0 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 p -52.52 -51.33 60.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.4 tm0? -60.89 -37.47 82.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 26' ' ' THR . 90.3 t -63.69 -54.04 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.714 ' O ' HG23 ' A' ' 35' ' ' THR . . . -58.07 -51.9 55.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.41 -45.08 94.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.459 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.683 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.7 OUTLIER -61.63 -50.22 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.68 0.276 . . . . 0.0 110.84 -179.861 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.532 HG21 ' CD2' ' A' ' 184' ' ' LEU . 5.3 mm -54.0 -46.47 65.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 179.878 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 31' ' ' GLY . 32.2 p -63.37 -40.66 97.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.082 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -59.7 -55.55 32.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.712 HG22 HD11 ' A' ' 41' ' ' ILE . 7.6 p -62.42 -38.21 80.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.181 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.4 mp -57.95 -48.29 80.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.949 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -66.52 -42.17 87.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -59.58 -43.03 93.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.712 HD11 HG22 ' A' ' 37' ' ' VAL . 24.2 mt -66.14 -49.74 74.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.914 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 38' ' ' LEU . 91.4 t -56.66 -46.66 82.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.153 179.883 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.37 -40.85 94.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.2 ttp -65.31 -31.55 72.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.519 ' NH1' HD12 ' A' ' 173' ' ' LEU . 0.0 OUTLIER -74.05 -51.59 15.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.826 -179.913 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -28.69 67.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -59.78 -34.64 73.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.404 HD23 ' HE3' ' A' ' 114' ' ' LYS . 21.9 mt -53.92 -38.47 64.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 57.8 m -97.45 37.16 1.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t30 63.23 37.01 11.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.24 44.1 91.57 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.459 179.884 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -100.91 109.34 21.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.744 0.306 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.6 -28.76 70.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.46 -26.14 66.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -26.18 68.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.7 mtp -67.71 -50.64 56.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -96.7 29.68 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.29 -48.57 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.01 23.37 13.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.47 -27.42 31.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.6 -33.23 66.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.92 -26.16 14.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.72 -33.46 48.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.801 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -51.97 -30.18 23.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -117.9 26.03 9.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -140.31 26.06 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 179.877 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.624 HD11 ' HE2' ' A' ' 174' ' ' LYS . 0.8 OUTLIER -118.75 -69.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.953 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 58.0 24.43 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 179.886 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.4 mp -82.23 160.69 62.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 82.26 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.644 2.229 . . . . 0.0 112.349 179.905 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -118.69 160.88 21.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.505 HG23 ' HE1' ' A' ' 179' ' ' PHE . 31.2 pt -106.95 149.73 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -170.95 48.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -174.36 -179.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 61.57 90.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -114.7 32.12 6.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.853 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -145.12 -109.2 0.62 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.548 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 3.8 t 60.45 49.69 6.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -119.84 162.06 19.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 52.59 89.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.0 m -71.2 131.53 43.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.22 -130.07 1.21 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.428 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -80.96 -39.49 25.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.789 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -77.98 100.07 6.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -162.88 178.5 8.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -165.05 -70.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.0 pt -149.45 152.89 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.17 110.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.846 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.8 tt -170.99 -50.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.4 mt 62.67 -177.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.997 179.906 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -131.47 65.78 1.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.789 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.61 HG22 HD11 ' A' ' 96' ' ' LEU . 70.9 mt -78.17 -31.46 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 179.883 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.9 p -61.68 -50.1 73.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.5 t -56.36 -52.04 66.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.05 -50.99 58.5 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.61 HD11 HG22 ' A' ' 92' ' ' ILE . 16.1 mt -55.12 -51.36 66.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 -179.89 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.749 ' CD1' HD22 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -53.49 -49.25 67.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.902 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -50.36 70.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.555 ' CB ' HD13 ' A' ' 176' ' ' LEU . 23.7 m-85 -55.14 -46.88 75.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.964 -179.895 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -57.28 -49.21 76.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.772 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.9 p -61.99 -33.05 73.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.753 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.834 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.9 m-85 -68.21 -64.65 0.82 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.901 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 pp -53.04 -36.6 60.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.1 -46.34 74.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.822 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -59.0 -45.13 91.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.499 ' SD ' HG23 ' A' ' 169' ' ' ILE . 13.4 ptm -75.05 -27.22 59.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.88 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -67.99 -32.64 73.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.55 -25.53 64.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.34 90.01 2.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.623 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.6 mt -145.44 178.0 8.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.86 -175.94 3.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -63.81 -51.08 66.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.877 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -72.27 -46.94 53.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.623 ' CB ' HD22 ' A' ' 110' ' ' LEU . 18.8 mmtm -55.69 -36.65 67.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.865 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -69.89 -44.48 69.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.86 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -49.13 77.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.769 179.936 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -70.28 -41.18 73.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.69 -44.66 73.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.806 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -55.66 -49.66 72.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.86 -39.79 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.623 HD11 HG13 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -60.2 -50.05 75.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.901 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -59.75 -49.26 78.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -52.54 59.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -56.09 -45.99 79.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.618 HG22 ' CD1' ' A' ' 129' ' ' ILE . 7.5 m -55.68 -51.25 67.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 -179.781 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -60.8 -34.87 75.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.58 ' HB ' HD11 ' A' ' 33' ' ' LEU . 56.8 m -66.24 -56.03 13.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.683 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -61.04 -31.67 71.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.94 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.618 ' CD1' HG22 ' A' ' 125' ' ' THR . 63.8 mt -71.93 -39.84 67.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.791 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -68.93 -40.4 79.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 87.4 mt -69.14 -47.79 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.569 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.7 m-85 -65.22 -46.9 78.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -63.52 -40.49 97.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -63.0 -51.22 67.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.03 -52.05 67.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 132' ' ' PHE . 97.3 t -59.59 -52.85 56.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 26.8 tttm -52.26 -44.02 64.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.841 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -66.44 -37.7 85.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.893 179.821 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.1 mp -69.87 -35.39 74.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -151.21 -75.14 0.15 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.37 -174.5 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 179.927 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.462 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.57 145.04 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.835 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.462 ' N ' HD13 ' A' ' 142' ' ' ILE . 6.5 m -152.75 173.07 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.887 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.749 HD22 ' CD1' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -149.75 154.62 37.8 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.624 0.726 . . . . 0.0 110.875 179.913 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -86.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.655 2.237 . . . . 0.0 112.365 179.808 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 178.45 147.41 0.36 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.562 0.696 . . . . 0.0 111.113 -179.938 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 110.09 2.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.248 . . . . 0.0 112.353 179.914 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -121.0 -32.75 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 179.877 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.7 p -51.86 -40.16 60.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -50.69 -49.97 56.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.43 -47.36 76.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 16.1 mt -56.01 -53.82 52.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.842 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.81 -62.73 1.46 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.966 179.843 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 82.7 p -51.2 -32.85 25.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.01 -39.05 58.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.846 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 13.0 mttt 56.4 -177.73 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 38.2 tp -124.83 -71.47 0.71 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -151.72 -64.92 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.6 m 62.37 68.26 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.86 -68.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -135.91 -49.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -57.35 163.13 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 42.9 p-90 -140.79 113.27 8.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.5 mt -123.95 41.95 3.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -77.43 -29.99 53.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.852 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.57 -26.09 8.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.925 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -70.05 -69.5 0.35 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.8 m -48.72 -43.64 37.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.499 HG23 ' SD ' ' A' ' 106' ' ' MET . 32.2 mm -63.27 -52.67 55.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -60.43 -26.32 66.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -72.73 -56.72 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.834 HD12 ' HB3' ' A' ' 102' ' ' TYR . 9.5 pt -61.57 -41.77 91.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.519 HD12 ' NH1' ' A' ' 45' ' ' ARG . 1.5 mm? -65.7 -47.77 74.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.965 179.898 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.624 ' HE2' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -56.11 -48.83 75.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.901 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 20.0 t -60.96 -42.29 97.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.555 HD13 ' CB ' ' A' ' 99' ' ' TYR . 15.3 tp -56.53 -51.54 68.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.472 ' HB2' HG21 ' A' ' 41' ' ' ILE . 3.0 tm-20 -59.47 -55.22 37.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.854 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -53.63 -49.01 68.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.508 ' CZ ' HG23 ' A' ' 92' ' ' ILE . 82.3 t80 -54.26 -50.39 67.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.893 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 62.4 mt -57.55 -40.57 79.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.72 -61.77 2.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.816 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 6.4 p -57.25 -38.45 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.449 ' HA ' HD11 ' A' ' 72' ' ' ILE . 60.8 m -58.07 -48.34 80.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.234 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.532 ' CD2' HG21 ' A' ' 34' ' ' ILE . 6.7 tp -67.87 -35.69 78.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.984 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -29.13 67.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.915 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.7 t -82.33 -50.11 9.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.703 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.453 HG22 ' HA ' ' A' ' 184' ' ' LEU . 6.8 t -61.14 -17.92 55.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.173 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -74.73 157.37 35.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.829 -179.922 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -179.33 101.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 -179.89 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -130.98 92.6 3.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.14 123.82 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.251 179.852 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -123.05 107.67 12.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.03 168.75 13.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.95 46.5 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.536 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -65.17 167.71 7.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.772 0.32 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.1 -174.53 2.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.819 -179.841 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.8 t -118.59 -29.71 5.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.175 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -104.54 159.1 16.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.6 p-10 -163.29 50.73 0.16 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.5 t -100.04 159.63 14.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 -179.905 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.42 159.63 68.61 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.569 0.7 . . . . 0.0 111.162 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -172.71 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.635 2.224 . . . . 0.0 112.34 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -65.63 -44.86 85.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -125.79 155.22 73.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 122.87 9.54 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.724 2.283 . . . . 0.0 112.398 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.5 p -101.32 -21.55 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.15 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 63.85 53.02 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.483 ' O ' HG23 ' A' ' 30' ' ' VAL . 10.1 p -107.01 162.79 13.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -51.42 -47.49 62.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 -179.94 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.52 -51.53 59.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.85 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -37.04 79.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 26' ' ' THR . 89.6 t -63.41 -54.43 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.18 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.714 ' O ' HG23 ' A' ' 35' ' ' THR . . . -57.88 -52.26 53.28 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.437 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.86 -43.74 94.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.536 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.833 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -63.58 -48.67 76.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.841 -179.865 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.569 ' N ' HD23 ' A' ' 33' ' ' LEU . 19.3 mm -54.49 -43.53 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.151 179.869 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 31' ' ' GLY . 29.7 p -65.65 -43.06 90.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.071 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -58.98 -55.5 34.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.715 HG22 HD11 ' A' ' 41' ' ' ILE . 7.3 p -59.67 -37.73 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.773 HD11 ' HG2' ' A' ' 181' ' ' LYS . 0.8 OUTLIER -58.59 -48.91 79.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.973 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -64.65 -42.89 95.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.16 -44.27 97.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.715 HD11 HG22 ' A' ' 37' ' ' VAL . 37.8 mt -61.94 -49.5 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.585 HG12 ' CE ' ' A' ' 46' ' ' LYS . 77.8 t -55.82 -58.71 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.041 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -55.95 -38.54 70.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.6 ttt -66.82 -31.93 72.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -51.22 21.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 -179.83 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.585 ' CE ' HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -70.68 -28.44 64.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.943 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -53.82 -36.8 62.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.0 mp -62.44 -30.28 71.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.77 34.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t30 60.41 33.95 20.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.846 179.934 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.99 44.72 94.42 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.497 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -99.66 112.01 24.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.82 -28.78 70.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.45 -26.98 64.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.879 179.9 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 12.3 t -68.26 -26.53 65.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.6 mmt -71.54 -36.96 71.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -100.99 27.99 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -101.52 -43.72 5.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.98 23.17 14.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -102.4 36.41 2.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.6 -33.44 4.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.65 -38.62 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.31 -33.31 63.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.714 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -57.81 -26.43 61.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -127.42 41.07 3.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -152.07 28.82 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.03 135.37 36.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.97 179.929 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.69 -24.22 58.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.891 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 mt -77.16 154.5 82.43 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.585 0.707 . . . . 0.0 110.952 179.892 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 160.73 48.61 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.634 2.223 . . . . 0.0 112.348 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -148.0 128.72 14.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.2 mt -51.82 135.22 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.192 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -138.06 157.11 47.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.1 ptt-85 -59.34 120.63 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -176.51 170.75 2.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -165.85 164.28 18.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 177.13 -179.72 47.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.494 -179.899 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.1 m 58.67 83.96 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 110.948 -179.854 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -136.87 -42.26 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.952 -179.827 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -131.21 179.23 6.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.8 t -71.26 158.69 35.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 -179.956 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 165.96 171.34 32.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.432 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -110.23 28.36 8.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.901 0.382 . . . . 0.0 110.972 -179.817 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -90.46 174.72 7.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -63.69 -48.33 77.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 57.64 94.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.6 tt -62.01 -34.29 62.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 54.93 -172.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.409 HD22 ' HB3' ' A' ' 140' ' ' HIS . 0.4 OUTLIER -59.93 137.7 58.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -180.0 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.7 -169.99 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 179.859 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.5 mttt 63.1 -170.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.822 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mt 71.11 -68.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.066 179.811 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.578 ' OG ' HD12 ' A' ' 144' ' ' LEU . 53.6 p -50.75 -50.35 55.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.907 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.486 ' HA ' HD11 ' A' ' 144' ' ' LEU . 2.6 t -57.65 -52.33 65.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.839 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.33 -52.61 51.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.496 HD23 HG12 ' A' ' 129' ' ' ILE . 1.6 mp -60.96 -34.59 74.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.907 0.384 . . . . 0.0 110.911 -179.912 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.725 HD21 ' HD3' ' A' ' 147' ' ' PRO . 14.7 tp -63.86 -49.74 71.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 179.927 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -62.02 -52.3 64.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.599 ' HB3' HD13 ' A' ' 176' ' ' LEU . 22.9 m-85 -55.18 -41.23 71.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 -179.91 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.453 ' HA ' HD21 ' A' ' 103' ' ' LEU . 52.2 t-80 -63.35 -43.57 97.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.915 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.55 -28.81 68.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.959 -179.849 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.774 ' HB3' HD12 ' A' ' 172' ' ' ILE . 20.2 m-85 -72.77 -55.27 6.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.922 -179.879 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 104' ' ' GLU . 1.9 pp -60.45 -43.45 96.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.565 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.5 pp20? -67.68 -32.88 73.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.468 ' HE2' HD22 ' A' ' 153' ' ' LEU . 15.7 t80 -66.83 -49.6 65.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.799 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.731 ' CE ' HD11 ' A' ' 110' ' ' LEU . 24.1 ptm -65.68 -42.02 91.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.538 ' HB2' ' HB1' ' A' ' 118' ' ' ALA . 5.4 tptm -59.2 -28.51 66.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.84 -24.31 64.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -153.42 71.36 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.731 HD11 ' CE ' ' A' ' 106' ' ' MET . 4.1 mt -119.97 178.04 4.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -175.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.974 179.763 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.3 -50.46 60.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.874 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -76.23 -44.91 35.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.803 -179.849 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.529 ' HB3' HD13 ' A' ' 110' ' ' LEU . 20.9 mmtm -55.91 -32.7 64.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -70.25 -42.19 72.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.825 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.02 -38.4 88.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.944 179.846 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.6 -47.1 23.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 107' ' ' LYS . . . -57.35 -47.08 82.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 179.886 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -53.19 -50.51 64.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 -179.903 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.08 -46.65 94.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' A' ' 41' ' ' ILE . 0.2 OUTLIER -58.47 -42.68 88.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.016 179.879 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.523 ' HA ' HD13 ' A' ' 103' ' ' LEU . 2.0 tt0 -61.02 -50.08 74.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -54.88 -51.57 65.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.93 -50.48 70.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.635 ' HA ' HD23 ' A' ' 128' ' ' LEU . 6.8 m -56.84 -50.53 72.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.873 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -54.75 -39.12 67.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.2 m -64.59 -50.98 65.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.056 -179.897 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.833 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -63.5 -30.84 71.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.939 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.496 HG12 HD23 ' A' ' 96' ' ' LEU . 78.9 mt -72.98 -39.22 57.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.02 -39.85 75.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.876 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.6 mt -69.12 -47.69 73.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.55 ' O ' HG23 ' A' ' 136' ' ' VAL . 4.4 m-85 -63.58 -47.13 82.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -64.31 -39.78 94.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -61.39 -53.45 56.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.47 -51.97 67.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.9 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 132' ' ' PHE . 93.7 t -59.54 -36.62 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -69.21 -35.56 76.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.3 -36.97 69.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.851 179.859 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.81 -58.09 3.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.409 ' HB3' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -122.72 -169.87 1.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.855 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -100.07 173.61 6.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.8 tp -176.05 146.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.186 179.858 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.8 m -143.41 177.49 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 179.771 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.578 HD12 ' OG ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -176.95 138.18 0.43 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.648 0.737 . . . . 0.0 110.972 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.4 ' HG2' ' H ' ' A' ' 146' ' ' THR . 52.6 Cg_endo -69.76 -85.35 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.645 2.23 . . . . 0.0 112.273 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.4 ' H ' ' HG2' ' A' ' 145' ' ' PRO . 0.1 OUTLIER 178.83 147.44 0.38 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.538 0.685 . . . . 0.0 111.17 -179.888 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.725 ' HD3' HD21 ' A' ' 97' ' ' LEU . 53.3 Cg_endo -69.81 141.87 46.21 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.647 2.231 . . . . 0.0 112.348 179.917 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.4 tt -116.57 -20.43 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 97.4 p -51.71 -37.03 49.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -51.73 -50.35 60.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.56 92.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.835 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.5 mt -58.25 -64.04 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.468 HD22 ' HE2' ' A' ' 105' ' ' TYR . 10.6 mt -51.88 -55.03 22.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 179.872 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 64.1 p -55.05 -32.88 62.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -74.03 -26.89 60.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 179.869 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -80.25 147.79 31.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.0 pp -67.58 -172.65 0.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.61 179.13 6.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.13 169.8 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.86 -179.774 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.7 -179.03 0.1 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -96.87 84.83 3.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.32 131.66 7.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 62.61 95.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.968 -179.91 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -53.79 105.88 0.16 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -78.98 -28.1 43.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.93 -26.46 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.91 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -69.65 -68.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.97 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 93.5 m -48.34 -44.92 34.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.7 mm -63.38 -46.2 96.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -62.89 -32.23 73.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -55.1 10.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.853 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.774 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.6 pt -60.27 -36.16 66.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.87 -55.69 13.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -55.35 -45.46 76.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.4 t -61.53 -44.7 96.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.599 HD13 ' HB3' ' A' ' 99' ' ' TYR . 19.2 tp -57.18 -50.84 71.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -57.11 14.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.773 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.6 ' O ' HG23 ' A' ' 182' ' ' VAL . 3.6 mm-40 -54.08 -48.27 70.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -57.54 -48.78 78.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.58 HD13 HD22 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -54.37 -50.81 66.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . 0.773 ' HG2' HD11 ' A' ' 38' ' ' LEU . 2.0 mttt -56.79 -48.51 77.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.87 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 178' ' ' GLU . 57.3 t -61.25 -44.08 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.814 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 93.2 m -57.51 -46.98 83.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.077 -179.928 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.445 ' O ' HD13 ' A' ' 184' ' ' LEU . 0.8 OUTLIER -63.13 -49.45 74.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.984 179.975 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 53.1 ttt-85 -61.85 -32.54 72.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 29.3 t -70.25 -51.91 27.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.8 t -63.48 -25.02 68.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -78.66 165.94 23.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -179.3 101.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 35.2 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.183 -179.952 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.879 0.371 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -119.4 87.08 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.6 t -134.21 127.53 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -174.79 126.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -60.73 169.92 1.66 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.72 -44.44 0.19 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.524 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.5 t0 56.51 -179.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.811 0.339 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -56.77 144.26 33.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.009 0.433 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.0 t -129.93 6.94 5.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.197 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -68.77 146.51 52.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.16 90.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 p -77.04 101.26 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 -179.854 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -138.68 159.65 66.52 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.601 0.715 . . . . 0.0 111.096 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 177.15 5.89 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.749 2.299 . . . . 0.0 112.344 179.966 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -81.49 -53.56 6.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 51.89 74.2 0.83 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.587 0.708 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 82.51 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.731 2.287 . . . . 0.0 112.387 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.481 ' HB ' HG22 ' A' ' 26' ' ' THR . 47.6 t -90.34 -18.05 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 63.66 37.34 10.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.887 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.651 ' O ' HG23 ' A' ' 30' ' ' VAL . 3.1 t -110.31 159.88 17.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.167 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.9 p -51.14 -48.99 61.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -51.61 62.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.787 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.618 ' H ' HG23 ' A' ' 26' ' ' THR . 68.4 mm-40 -61.09 -39.33 89.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 26' ' ' THR . 93.1 t -63.28 -54.51 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.708 ' O ' HG23 ' A' ' 35' ' ' THR . . . -55.89 -51.85 52.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.16 -43.73 96.89 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 -179.859 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.95 -50.09 70.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.721 0.296 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.576 ' O ' HD23 ' A' ' 38' ' ' LEU . 18.0 mm -53.74 -44.91 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.882 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 31' ' ' GLY . 42.8 p -64.98 -42.85 94.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -59.13 -55.47 34.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 179.885 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.712 HG22 HD11 ' A' ' 41' ' ' ILE . 8.4 p -60.56 -36.21 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.675 HD11 ' HG3' ' A' ' 181' ' ' LYS . 1.3 mm? -60.21 -48.36 82.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -65.37 -42.03 93.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.868 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.95 -42.32 98.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.712 HD11 HG22 ' A' ' 37' ' ' VAL . 35.6 mt -65.41 -45.64 92.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.214 179.884 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 38' ' ' LEU . 98.5 t -60.01 -44.52 94.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.143 179.833 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -70.24 -42.9 71.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.418 ' O ' HD13 ' A' ' 48' ' ' LEU . 13.8 ttt -65.86 -31.76 72.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.0 ttp85 -75.28 -51.11 14.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -28.74 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -55.58 -39.58 70.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.499 HD12 ' HE3' ' A' ' 114' ' ' LYS . 9.0 mp -54.15 -30.57 49.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.2 m -95.95 32.36 1.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 58.27 29.51 18.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.71 44.37 95.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.462 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -100.6 117.93 35.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.922 0.391 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 83.3 p -59.62 -27.17 66.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -40.4 94.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.849 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 t -61.51 -34.22 75.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.4 mtp -62.91 -45.26 93.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -104.18 26.18 9.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -83.51 -61.69 1.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -107.72 26.51 10.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -98.13 27.36 4.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.94 -30.96 8.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.031 -179.956 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.37 -31.09 5.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.68 -32.63 71.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 179.826 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -52.89 -32.78 47.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 -179.929 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -120.79 26.89 8.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.91 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -138.03 27.1 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.09 132.74 36.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.26 -25.99 63.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.768 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.0 mt -79.61 154.89 76.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.616 0.722 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 149.98 67.53 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 179.763 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -147.67 123.36 10.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.584 ' HB ' HG11 ' A' ' 182' ' ' VAL . 57.8 mt -54.67 119.32 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.122 179.934 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -160.33 26.45 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 ptt180 -162.24 151.38 15.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -132.1 97.58 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.814 -179.905 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -100.96 162.84 12.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -108.94 162.71 12.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.487 -179.928 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.1 t -160.6 110.26 1.73 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.788 0.327 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.49 -174.77 4.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.915 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -109.4 -44.46 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.32 -57.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.169 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 169.41 168.52 31.5 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.457 179.955 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 60.35 179.68 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.97 0.414 . . . . 0.0 110.94 -179.712 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.5 t30 61.94 179.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -126.06 101.41 6.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.94 98.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.7 pt -120.32 159.0 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 25.7 m -87.23 147.95 25.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 179.879 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -153.96 159.65 41.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.969 179.936 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -175.47 -38.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.882 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.79 -170.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.9 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.1 mt 71.06 -68.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 p -50.87 -49.63 58.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.5 t -57.0 -52.17 66.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 -179.762 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.82 -51.7 57.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.483 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.476 HD23 HG12 ' A' ' 129' ' ' ILE . 2.6 mp -59.35 -40.43 86.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 0.0 110.922 -179.893 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.684 ' CD1' HD23 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -64.94 -49.14 71.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.839 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.605 ' N ' HD23 ' A' ' 97' ' ' LEU . 80.8 mt-10 -58.96 -50.74 72.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.844 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.441 ' HB3' HD13 ' A' ' 176' ' ' LEU . 19.7 m-85 -57.98 -45.26 87.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.849 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -57.0 -48.5 78.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.67 -36.44 83.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.837 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.601 ' HB3' HD12 ' A' ' 172' ' ' ILE . 11.7 m-85 -62.75 -64.37 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.439 HD23 HD22 ' A' ' 176' ' ' LEU . 1.6 pp -54.48 -39.11 67.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.94 -37.1 86.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.756 ' CE1' HG22 ' A' ' 154' ' ' THR . 12.0 t80 -68.19 -50.14 56.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.915 -179.883 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.3 ptm -68.45 -26.83 65.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.856 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -65.33 -30.21 71.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.94 -37.84 80.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.959 179.935 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -124.79 95.99 4.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.624 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.4 mt -146.54 176.0 10.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.974 179.898 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -73.75 -175.92 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.859 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -62.71 -51.03 68.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -73.79 -46.19 47.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.624 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.9 mmtm -55.86 -37.09 68.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.904 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.17 -49.65 59.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.901 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -54.56 -47.36 73.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -71.31 -40.04 71.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.95 -43.42 73.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.081 179.832 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -55.73 -49.53 72.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.76 -44.59 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.49 -47.11 82.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -61.2 -50.83 71.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -53.21 55.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -55.09 -50.52 68.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.701 HG22 HD12 ' A' ' 129' ' ' ILE . 18.9 m -53.54 -43.9 68.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.178 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -68.43 -31.51 70.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.431 HG22 HD11 ' A' ' 131' ' ' ILE . 5.4 m -67.23 -56.55 9.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.906 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.433 HD12 HG13 ' A' ' 129' ' ' ILE . 0.6 OUTLIER -62.29 -42.56 99.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.982 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.701 HD12 HG22 ' A' ' 125' ' ' THR . 85.2 mt -64.53 -37.19 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.805 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -70.12 -41.52 73.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 179.854 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.431 HD11 HG22 ' A' ' 127' ' ' THR . 18.0 mt -64.8 -51.81 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.117 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.72 -49.97 72.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -57.58 -40.47 79.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -65.25 -46.52 80.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.09 -52.0 67.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.2 m -66.7 -30.5 49.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -36.34 77.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.875 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -77.82 -41.64 36.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.871 179.831 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -49.15 49.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.847 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.28 -175.89 4.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.852 179.861 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -99.09 125.39 44.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.448 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.57 144.58 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.79 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.448 ' N ' HD13 ' A' ' 142' ' ' ILE . 4.9 m -153.18 153.43 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.739 HD22 ' C ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -51.4 154.77 2.85 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.621 0.724 . . . . 0.0 110.826 -179.958 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.415 ' HD2' ' HB2' ' A' ' 144' ' ' LEU . 53.8 Cg_endo -69.89 -86.67 0.0 OUTLIER 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.602 2.201 . . . . 0.0 112.366 179.838 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 178.45 146.99 0.36 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.572 0.701 . . . . 0.0 111.147 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.83 116.73 4.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.5 tt -130.52 -39.38 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.78 -36.06 72.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -51.02 -49.41 60.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.93 -48.64 75.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.872 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 16.8 mt -54.61 -55.03 33.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.59 -62.9 1.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.756 HG22 ' CE1' ' A' ' 105' ' ' TYR . 56.9 p -52.16 -32.84 37.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 179.928 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.5 -39.61 70.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 179.883 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -79.14 174.68 11.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.836 179.951 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -174.91 -42.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.97 179.879 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -179.17 125.47 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 6.6 t -171.88 50.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.739 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 61.98 169.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.73 28.34 8.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -122.6 -35.8 3.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 69.21 -75.95 0.06 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.55 154.18 31.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.943 179.901 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -66.37 -31.37 72.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.86 -26.38 5.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.852 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -69.44 -69.05 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.2 m -48.59 -44.93 37.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.106 -179.918 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.401 ' O ' HD23 ' A' ' 173' ' ' LEU . 39.5 mm -62.9 -46.15 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -62.95 -32.12 73.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.965 179.949 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.83 -55.09 10.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.601 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.9 pt -60.29 -36.11 66.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 169' ' ' ILE . 2.8 mm? -67.13 -54.87 17.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -55.26 -49.01 73.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.01 -47.45 85.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.441 HD13 ' HB3' ' A' ' 99' ' ' TYR . 7.6 tp -54.11 -52.01 62.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.62 -56.41 21.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.916 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.628 ' O ' HG23 ' A' ' 182' ' ' VAL . 0.3 OUTLIER -53.15 -50.14 65.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.874 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -57.56 -46.48 83.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.97 -179.928 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 9.9 mt -55.01 -49.72 70.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . 0.675 ' HG3' HD11 ' A' ' 38' ' ' LEU . 1.1 mtpm? -58.36 -49.74 76.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.91 179.861 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 178' ' ' GLU . 29.4 t -61.29 -36.38 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 179.879 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 97.0 m -63.27 -59.35 4.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.082 -179.962 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.486 ' O ' HD13 ' A' ' 184' ' ' LEU . 1.0 OUTLIER -55.87 -46.35 78.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.955 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 57.3 ttt85 -64.28 -33.85 76.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 30.4 t -71.04 -52.08 21.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.797 -179.763 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 8.9 t -61.61 -25.1 67.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.213 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -78.44 116.3 18.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.63 16.54 5.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.895 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 82.5 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 -179.939 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.895 0.378 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.53 70.88 1.42 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.9 p -83.69 146.07 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.62 107.35 7.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.6 mtp85 -115.57 174.93 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.36 36.09 0.11 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -107.12 140.6 39.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.8 0.333 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -128.25 137.04 51.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.7 t -121.91 -40.5 2.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.056 -179.803 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 44.07 -163.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -175.29 90.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.81 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.1 p -85.37 139.02 31.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 -179.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.21 159.65 40.56 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.672 0.749 . . . . 0.0 111.135 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.75 -171.28 0.46 Allowed 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.667 2.245 . . . . 0.0 112.384 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -105.83 30.08 6.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -113.67 73.74 2.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.541 0.686 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 116.78 4.72 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.585 2.19 . . . . 0.0 112.301 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.6 t -108.78 -14.86 9.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 179.849 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 63.56 51.83 2.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.003 -179.873 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.48 HG23 ' H ' ' A' ' 29' ' ' GLN . 2.2 t -107.97 159.07 16.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -51.37 -47.13 62.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.27 -51.71 51.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.829 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.48 ' H ' HG23 ' A' ' 26' ' ' THR . 8.4 mm-40 -60.65 -41.57 95.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.973 -179.928 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.2 t -61.13 -54.53 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.185 179.902 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.73 -51.76 52.95 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.26 -40.46 93.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.953 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.671 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.3 OUTLIER -65.28 -38.68 91.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.348 . . . . 0.0 110.924 -179.935 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.524 ' O ' HD23 ' A' ' 38' ' ' LEU . 25.0 mm -63.69 -55.88 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.895 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.6 t -57.82 -41.85 83.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -63.72 -55.14 25.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -31.88 41.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.666 ' O ' HG23 ' A' ' 42' ' ' VAL . 2.1 mm? -67.15 -49.0 66.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -61.74 -42.22 98.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.3 -48.07 81.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.0 mt -58.96 -41.45 83.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 38' ' ' LEU . 93.5 t -62.44 -50.36 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.113 179.826 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.61 -41.85 95.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.5 ttt -67.29 -34.79 78.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.8 ttp85 -68.21 -51.32 46.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.3 -28.31 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.71 -34.71 59.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.551 HD21 HG21 ' A' ' 169' ' ' ILE . 9.6 mp -67.51 -29.53 68.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.92 31.3 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 62.87 39.49 10.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 53.49 45.02 67.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.464 179.958 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -100.75 102.74 13.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 110.905 -179.875 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.69 -28.93 64.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.852 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -71.35 -26.59 62.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 48.1 t -65.54 -28.69 69.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.0 mtp -57.44 -33.34 67.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.935 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -120.55 26.94 8.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -86.26 -48.72 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.8 23.42 13.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -101.97 38.31 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.27 -25.1 9.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 -179.979 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.84 -37.78 2.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.859 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.496 ' HB1' ' CZ ' ' A' ' 171' ' ' PHE . . . -56.49 -28.32 59.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.15 179.813 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -56.45 -26.44 53.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -114.45 29.0 8.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -147.42 28.48 0.98 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.462 HD22 HD12 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -96.58 -47.93 5.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.994 179.941 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.98 23.95 10.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.785 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.462 HD12 HD22 ' A' ' 67' ' ' LEU . 20.4 mt -84.11 159.27 60.06 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.653 0.739 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 93.11 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.632 2.221 . . . . 0.0 112.346 179.874 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -143.2 139.4 30.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.4 mp -51.83 122.97 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.184 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -100.21 62.64 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 58.05 65.76 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.794 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.62 -52.51 64.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 54.79 -169.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.06 19.68 47.75 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 27.8 m 54.86 -174.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.927 0.394 . . . . 0.0 110.824 -179.882 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -110.17 141.52 42.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.31 -176.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.46 106.46 2.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.944 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.88 -177.03 35.1 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -119.78 48.78 1.48 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.924 0.392 . . . . 0.0 110.951 -179.81 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.77 -59.12 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.974 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.33 129.31 29.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.07 34.56 4.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 69.3 mt -78.57 -50.98 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 69.21 -75.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 179.905 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -172.17 159.12 4.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -177.99 104.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.879 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -144.48 94.52 2.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.831 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.2 mt -115.6 -25.67 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.905 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.43 ' HB3' HD11 ' A' ' 142' ' ' ILE . 1.0 OUTLIER -70.96 -33.01 70.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.874 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.8 t -57.34 -52.23 66.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.21 -51.13 40.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.996 HD21 HD11 ' A' ' 128' ' ' LEU . 1.2 tp -55.27 -44.86 76.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.94 0.4 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 45.3 mt -64.5 -49.25 72.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.42 -53.39 58.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -55.56 -46.6 77.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.439 ' HA ' HD21 ' A' ' 103' ' ' LEU . 22.2 t-80 -56.22 -47.49 78.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 p -63.72 -35.1 79.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.769 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.426 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.8 m-85 -66.17 -64.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.868 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 104' ' ' GLU . 1.2 pp -51.29 -46.23 62.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.454 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -57.34 -51.18 70.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.79 ' CD1' HG22 ' A' ' 154' ' ' THR . 1.7 t80 -54.8 -40.78 69.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.823 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.487 ' HG2' HD11 ' A' ' 110' ' ' LEU . 2.5 ttp -71.18 -31.58 67.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 179.913 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.533 ' HB2' ' HB1' ' A' ' 118' ' ' ALA . 4.7 tptm -65.62 -32.72 74.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -59.21 -20.69 56.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -144.56 79.4 1.6 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.595 HD13 ' HB3' ' A' ' 114' ' ' LYS . 5.2 mt -136.49 178.24 7.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -71.22 -177.46 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.827 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -63.4 -51.25 66.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.813 179.846 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -72.32 -49.14 36.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.595 ' HB3' HD13 ' A' ' 110' ' ' LEU . 6.2 mttt -55.72 -28.54 56.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -68.31 -45.65 72.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.564 ' O ' HG23 ' A' ' 120' ' ' VAL . 0.6 OUTLIER -67.69 -38.34 83.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.843 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -72.74 -48.96 34.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.935 179.899 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.533 ' HB1' ' HB2' ' A' ' 107' ' ' LYS . . . -58.03 -50.09 74.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.859 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -53.77 -49.99 67.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 116' ' ' ASP . 74.1 t -59.0 -43.35 88.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.62 -46.83 83.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -60.38 -48.47 81.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.893 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -53.82 -51.58 63.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.78 -49.6 76.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.761 HG22 HD11 ' A' ' 129' ' ' ILE . 4.7 m -56.46 -49.62 74.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 -179.912 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -55.32 -45.29 76.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.812 -179.894 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.503 HG22 HD11 ' A' ' 131' ' ' ILE . 2.0 m -59.3 -54.71 43.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 -179.907 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.996 HD11 HD21 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -60.57 -30.08 69.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.939 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.761 HD11 HG22 ' A' ' 125' ' ' THR . 25.7 mt -68.91 -44.11 81.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.816 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -66.28 -47.22 74.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.906 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.503 HD11 HG22 ' A' ' 127' ' ' THR . 7.2 mt -60.76 -52.27 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -62.14 -45.36 93.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -56.51 -42.46 78.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -65.65 -49.64 67.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -55.67 -52.28 64.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.808 -179.888 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.466 HG11 HD13 ' A' ' 142' ' ' ILE . 7.9 p -66.63 -31.14 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -41.12 97.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.858 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -88.17 -19.92 26.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.81 179.9 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 11.8 mt -81.63 -58.23 3.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -143.85 36.94 1.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.795 179.894 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 63.77 -176.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.466 HD13 HG11 ' A' ' 136' ' ' VAL . 8.0 tp -150.69 147.66 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.821 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 18.7 m -103.45 154.24 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.601 HD12 ' OG1' ' A' ' 146' ' ' THR . 0.1 OUTLIER -124.62 94.0 45.3 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.588 0.709 . . . . 0.0 110.932 -179.982 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 144' ' ' LEU . 53.7 Cg_endo -69.77 -45.66 1.5 Allowed 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.687 2.258 . . . . 0.0 112.352 179.851 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.601 ' OG1' HD12 ' A' ' 144' ' ' LEU . 16.6 m 64.57 82.82 0.21 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 0.0 111.145 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 151.27 68.9 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 179.939 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.8 tt -119.15 -10.15 11.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.9 p -47.94 -35.95 11.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -51.65 -50.35 60.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -52.51 -45.3 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.066 179.9 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 14.2 mt -60.46 -48.97 79.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.911 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.445 HD23 ' CE2' ' A' ' 105' ' ' TYR . 0.6 OUTLIER -54.04 -60.54 3.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.948 179.922 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.79 HG22 ' CD1' ' A' ' 105' ' ' TYR . 30.9 p -53.61 -40.47 65.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -63.64 -40.24 96.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 2.9 mttt 69.17 -75.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 1.1 mt -178.01 -56.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.92 179.844 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.77 -41.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.98 171.33 13.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.795 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -95.1 101.15 12.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.87 -31.81 4.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 62.31 72.1 0.51 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 7.5 m-90 -79.47 91.29 5.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.1 mt 52.36 50.45 18.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.16 -26.2 66.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 179.881 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.8 -26.36 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -69.39 -69.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.0 m -48.84 -45.11 40.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.551 HG21 HD21 ' A' ' 48' ' ' LEU . 38.7 mm -62.75 -44.72 99.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.158 179.865 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -62.56 -33.02 74.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.992 179.858 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 0.496 ' CZ ' ' HB1' ' A' ' 63' ' ' ALA . 0.7 OUTLIER -70.09 -55.17 10.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.773 -179.912 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.426 HD12 ' HB3' ' A' ' 102' ' ' TYR . 25.2 pt -58.69 -35.72 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.73 -54.56 18.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -58.08 -49.93 75.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.846 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 86.7 p -60.69 -41.06 94.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 11.9 tp -58.22 -54.84 42.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.546 ' OE1' HG22 ' A' ' 42' ' ' VAL . 3.3 tt0 -57.44 -56.66 18.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.874 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 182' ' ' VAL . 3.5 mt-10 -53.34 -44.3 68.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.403 ' HE1' HD13 ' A' ' 96' ' ' LEU . 44.6 t80 -57.69 -48.8 78.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.7 mt -57.56 -53.26 60.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . 0.505 ' CG ' HD11 ' A' ' 38' ' ' LEU . 29.5 mtmt -51.76 -50.51 60.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.786 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 178' ' ' GLU . 85.1 t -59.1 -45.9 92.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 179.834 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 48.4 m -59.31 -34.56 72.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.478 ' O ' HG22 ' A' ' 187' ' ' THR . 1.1 tm? -70.54 -52.09 24.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 50.7 ptt85 -67.98 -19.96 64.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.795 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 74.8 p -80.79 -49.45 11.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.823 -179.728 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 184' ' ' LEU . 8.9 t -59.8 -23.03 62.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -78.21 -172.8 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 63.34 16.73 9.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 67.6 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 -179.902 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.819 0.342 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 56.24 60.63 3.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.9 p -115.12 142.65 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.043 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.58 65.96 1.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.2 mmm-85 -147.88 168.66 21.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.36 51.88 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -105.33 88.05 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.349 . . . . 0.0 110.783 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -156.55 157.01 34.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 t -126.59 -37.52 2.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.227 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 62.82 167.26 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -168.45 36.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 -179.919 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.2 p -103.52 149.37 24.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.104 -179.802 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.28 159.58 35.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.701 . . . . 0.0 111.106 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 178.14 4.88 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.653 2.235 . . . . 0.0 112.401 179.9 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -154.04 41.83 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 61.31 160.4 0.11 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.573 0.702 . . . . 0.0 110.936 -179.844 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 105.64 1.52 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.671 2.248 . . . . 0.0 112.346 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.476 ' HB ' HG22 ' A' ' 26' ' ' THR . 50.4 t -94.57 -22.05 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 63.46 25.23 14.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.816 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.476 HG22 ' HB ' ' A' ' 24' ' ' VAL . 9.0 t -109.64 168.61 9.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.75 -36.8 27.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.01 -43.27 75.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.924 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.406 ' H ' HG23 ' A' ' 26' ' ' THR . 30.4 tp60 -62.68 -51.49 67.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.438 HG23 ' N ' ' A' ' 31' ' ' GLY . 19.2 m -60.44 -43.98 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 179.9 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.7 ' O ' HG23 ' A' ' 35' ' ' THR . . . -58.67 -52.31 53.79 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.459 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.94 -39.79 97.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.544 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.568 HD21 ' O ' ' A' ' 124' ' ' ASP . 3.3 tt -64.35 -46.94 81.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.338 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.541 ' O ' HD23 ' A' ' 38' ' ' LEU . 21.5 mm -59.05 -42.97 88.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.792 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 31' ' ' GLY . 34.9 p -64.88 -43.65 92.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -58.88 -55.59 33.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.771 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.717 HG22 HD11 ' A' ' 41' ' ' ILE . 9.1 p -60.01 -35.6 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.753 HD11 ' HG3' ' A' ' 181' ' ' LYS . 1.0 OUTLIER -60.35 -48.59 81.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.6 t90 -65.28 -41.81 93.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -62.69 -41.5 99.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.717 HD11 HG22 ' A' ' 37' ' ' VAL . 36.3 mt -65.23 -47.42 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 38' ' ' LEU . 92.0 t -58.87 -46.76 90.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.189 179.871 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.8 -42.1 82.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.406 ' O ' HD13 ' A' ' 48' ' ' LEU . 3.0 ttt -66.01 -31.82 72.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 179.912 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -51.04 17.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.859 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -69.23 -28.79 66.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.941 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.55 -39.91 74.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.508 HD12 ' HE2' ' A' ' 114' ' ' LYS . 7.4 mp -55.25 -28.88 56.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.905 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.8 m -98.41 31.03 2.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 179.85 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.21 28.6 18.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.77 43.02 92.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.93 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -99.53 107.61 19.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 110.909 -179.863 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.6 p -54.45 -29.7 50.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.787 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -31.09 72.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.6 t -63.31 -27.28 69.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.8 mtp -63.71 -50.22 70.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -110.83 37.42 2.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.812 -179.85 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -76.64 -43.09 39.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.498 ' CG ' HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -143.9 27.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 -179.989 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.51 ' HA ' ' HB3' ' A' ' 63' ' ' ALA . 5.2 p-10 -77.33 -26.08 51.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.791 -179.931 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.64 -34.9 53.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.498 HD21 ' CG ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -102.4 -31.11 10.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.933 -179.995 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' ' 60' ' ' ASP . . . -59.26 -33.85 71.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.738 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -53.71 -31.68 49.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -114.94 34.04 5.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -142.92 26.77 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.947 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.0 132.56 50.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.8 -26.06 20.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.816 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.64 160.8 49.98 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.7 0.762 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 142.74 48.37 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.744 2.296 . . . . 0.0 112.272 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -145.75 143.3 29.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.796 HD12 HG13 ' A' ' 182' ' ' VAL . 72.8 mt -80.48 105.14 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.204 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -102.75 120.22 40.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.32 178.1 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.897 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -151.57 -45.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -74.41 134.05 42.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.66 95.79 2.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.524 -179.895 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 71.4 m -110.41 59.98 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.907 0.384 . . . . 0.0 110.93 -179.913 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.6 t80 61.3 95.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.003 -179.875 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 52.69 85.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.2 p 51.26 -170.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.155 -179.929 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.45 -32.36 2.35 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.527 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.2 t80 52.27 31.39 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.878 -179.873 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -170.33 -173.37 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -62.94 -73.48 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -171.28 73.32 0.05 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.921 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 50.7 mm -103.06 100.82 11.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.602 ' C ' HD13 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -165.23 128.99 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.891 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.681 ' N ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -149.93 165.12 33.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.64 -178.55 5.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -84.58 87.64 7.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 179.861 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.2 mt -91.75 -37.17 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.853 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 m -52.06 -44.47 64.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.0 m -57.19 -51.96 67.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.846 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -55.67 -51.15 56.84 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.852 HD12 HD11 ' A' ' 129' ' ' ILE . 0.7 OUTLIER -56.42 -45.88 80.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.358 . . . . 0.0 110.879 -179.878 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.667 HD13 HD13 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -57.33 -49.33 76.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.92 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -56.64 -52.67 64.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -56.32 -45.15 80.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.824 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -56.23 -48.4 76.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 m -62.77 -37.61 87.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.751 -179.772 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.634 ' HB3' HD12 ' A' ' 172' ' ' ILE . 14.1 m-85 -61.57 -63.57 1.23 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 -179.884 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.0 pp -55.91 -35.86 67.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.04 -46.11 90.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 179.862 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.709 ' CE1' HG22 ' A' ' 154' ' ' THR . 9.1 t80 -65.54 -42.98 91.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.759 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.8 ttt -70.35 -25.85 63.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -70.66 -26.04 63.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -36.53 77.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -129.25 97.16 4.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.887 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.68 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.0 mt -149.05 176.14 10.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.956 179.933 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -75.39 -175.98 2.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.832 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -51.02 68.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -73.91 -45.91 47.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.68 ' CB ' HD22 ' A' ' 110' ' ' LEU . 0.6 OUTLIER -55.71 -39.67 71.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.868 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -65.56 -49.62 68.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.834 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -54.38 -48.39 71.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.864 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -67.64 -40.99 84.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.92 -46.06 74.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 179.83 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 14.1 ttt-85 -55.65 -49.59 72.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.8 -179.897 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 90.2 t -60.12 -40.45 83.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.635 HD21 HG12 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -59.75 -50.21 74.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.948 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -59.37 -51.64 69.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -53.95 -53.15 56.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.568 ' O ' HD21 ' A' ' 33' ' ' LEU . 28.1 m-20 -53.95 -46.42 71.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.65 HG22 ' CD1' ' A' ' 129' ' ' ILE . 9.4 m -58.11 -47.13 84.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 -179.936 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.64 -33.33 74.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.1 m -69.14 -56.2 8.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.924 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 pp -59.73 -33.21 71.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.961 179.916 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.852 HD11 HD12 ' A' ' 96' ' ' LEU . 66.7 mt -71.74 -42.92 70.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -43.84 95.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 179.934 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 52.5 mt -67.29 -53.02 36.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -58.67 -48.52 80.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -61.31 -41.31 96.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -63.19 -40.68 98.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -65.38 -52.17 55.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 34.3 m -64.94 -33.54 64.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 -179.935 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.04 -41.17 78.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -78.31 -25.37 46.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.8 tp -79.98 -48.21 13.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -137.22 -75.15 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.975 179.802 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.4 -169.75 0.15 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.866 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.48 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -174.07 146.08 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.905 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.48 ' N ' HD13 ' A' ' 142' ' ' ILE . 17.8 m -142.41 166.55 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.188 179.847 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.667 HD13 HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -179.16 137.63 0.32 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.608 0.718 . . . . 0.0 110.858 179.958 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -86.45 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.737 2.291 . . . . 0.0 112.37 179.835 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 178.82 147.61 0.39 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.573 0.702 . . . . 0.0 111.145 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 120.19 7.01 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 5.5 tt -116.64 -22.49 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -45.69 64.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.82 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -50.97 -49.9 59.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.33 -53.23 56.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.028 179.874 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.0 mp -51.75 -53.83 35.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.422 HD11 HG21 ' A' ' 168' ' ' THR . 3.9 mm? -52.69 -64.23 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.709 HG22 ' CE1' ' A' ' 105' ' ' TYR . 64.2 p -51.57 -32.88 30.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.931 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -30.55 31.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.883 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 12.7 mttt 58.74 177.34 0.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.2 mt -155.85 89.58 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 63.29 161.34 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 63.9 m -89.95 85.18 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.894 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -146.99 34.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.887 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -106.9 134.66 49.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.892 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -158.06 -48.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -146.41 31.8 0.99 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 165' ' ' ARG . 4.5 pp -112.25 -25.92 9.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . 0.422 ' N ' HD12 ' A' ' 164' ' ' LEU . 32.7 ptt85 -57.31 -28.93 63.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.84 -26.73 10.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.194 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -69.76 0.33 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.819 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . 0.422 HG21 HD11 ' A' ' 153' ' ' LEU . 98.3 m -48.77 -45.18 39.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.23 179.945 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.475 HG21 HD21 ' A' ' 48' ' ' LEU . 1.7 mp -61.6 -49.78 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.854 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.46 -29.37 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -55.22 9.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.634 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.2 pt -61.93 -37.0 77.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.26 -53.05 33.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -58.72 -43.07 90.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.871 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 5.2 t -64.23 -42.46 96.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.544 HD11 HD11 ' A' ' 180' ' ' LEU . 11.6 tp -62.8 -41.11 99.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.0 -57.25 8.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.824 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -56.66 -37.18 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.792 -179.867 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.84 -48.78 70.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.769 -179.89 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.544 HD11 HD11 ' A' ' 176' ' ' LEU . 31.2 mt -60.72 -37.7 82.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.869 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . 0.753 ' HG3' HD11 ' A' ' 38' ' ' LEU . 3.3 mtpp -66.55 -59.77 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 179.867 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.796 HG13 HD12 ' A' ' 72' ' ' ILE . 11.3 p -56.87 -31.05 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 179.884 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 98.7 m -78.02 -32.92 51.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.499 ' HG ' HG21 ' A' ' 34' ' ' ILE . 3.2 tm? -72.47 -35.71 68.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.896 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.63 -37.65 24.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 48.3 t -69.68 -49.13 56.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.3 t -51.85 -29.7 20.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -58.98 -178.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -114.67 -19.86 10.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 40.6 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.922 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.832 0.349 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -150.71 94.95 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.999 179.935 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.9 t -118.6 144.33 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.17 120.18 31.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -129.64 177.84 6.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.41 -19.88 1.88 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.908 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -117.32 90.19 3.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.84 0.353 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 53.45 -172.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.819 -179.924 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.3 t -102.25 -32.52 10.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -145.87 151.58 38.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -161.65 27.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 p 52.71 -173.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.509 HG23 ' HD2' ' A' ' 36' ' ' HIS . 0.6 OUTLIER -108.98 159.52 30.78 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.593 0.711 . . . . 0.0 111.184 -179.992 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -179.24 2.8 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.703 2.269 . . . . 0.0 112.296 179.972 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -124.53 26.36 7.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.5 mtp85 -126.79 74.31 75.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.677 0.751 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 86.55 0.57 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.579 2.186 . . . . 0.0 112.395 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.14 -12.25 10.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 63.41 54.16 2.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.835 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.469 HG23 ' H ' ' A' ' 29' ' ' GLN . 6.6 t -119.79 164.99 15.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.96 -34.15 19.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -68.45 -44.9 73.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.869 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.469 ' H ' HG23 ' A' ' 26' ' ' THR . 1.2 tm0? -61.3 -50.61 72.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.0 m -62.22 -39.95 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.63 -52.82 50.13 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.432 179.913 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.21 -36.31 92.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.447 -179.87 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.691 HD21 ' O ' ' A' ' 124' ' ' ASP . 7.6 tt -69.33 -35.97 76.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.789 0.328 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.772 HG21 HD22 ' A' ' 184' ' ' LEU . 40.1 mt -68.53 -47.89 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.092 179.875 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.8 t -64.29 -40.43 95.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.509 ' HD2' HG23 ' A' ' 19' ' ' THR . 1.3 t60 -65.18 -55.06 20.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.527 HG22 HD11 ' A' ' 41' ' ' ILE . 8.5 p -60.43 -33.29 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 -179.948 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' ' 180' ' ' LEU . 8.4 mt -64.73 -49.01 72.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.0 t90 -63.21 -42.62 99.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -43.67 98.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.527 HD11 HG22 ' A' ' 37' ' ' VAL . 33.4 mt -61.75 -47.02 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.46 HG12 ' HD3' ' A' ' 46' ' ' LYS . 86.4 t -59.49 -44.31 92.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.893 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -69.09 -42.56 75.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.3 -31.78 72.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.54 -51.06 13.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -68.39 -28.72 67.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.93 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -53.72 -40.92 66.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.453 HD21 HG21 ' A' ' 169' ' ' ILE . 9.7 mp -54.9 -27.69 44.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.13 31.13 2.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.836 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.06 26.19 15.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.23 42.55 99.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -89.42 106.58 18.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.901 -179.887 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.9 p -52.62 -39.52 61.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.791 -179.837 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -65.59 -37.41 86.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.6 t -54.37 -27.45 36.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.5 mtp -67.98 -50.94 52.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -102.35 32.95 3.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.49 -62.46 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.6 29.98 7.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.914 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -96.22 29.76 2.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.61 -35.08 6.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.28 -36.1 5.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.58 -30.83 71.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 179.775 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.49 -27.29 68.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 -179.934 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.44 27.31 9.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -139.7 26.15 2.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.436 HD23 ' CD2' ' A' ' 171' ' ' PHE . 0.7 OUTLIER -92.19 -40.67 10.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.984 179.924 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.47 22.32 9.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.778 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.7 mt -84.03 158.47 61.56 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.712 0.767 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 83.42 0.69 Allowed 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.658 2.238 . . . . 0.0 112.365 179.828 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -122.94 147.88 46.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.4 mt -52.15 144.17 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.21 92.97 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 62.62 103.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -139.04 152.97 48.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -149.92 57.99 0.98 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.41 47.69 89.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 69.25 -75.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -173.66 86.93 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 58.72 -170.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.02 -40.31 95.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 -179.886 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.53 159.22 7.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.5 179.937 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -123.22 -58.35 1.63 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.951 0.405 . . . . 0.0 111.042 -179.805 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -172.18 -46.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 179.946 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -57.69 178.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 62.19 177.81 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.42 178.83 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -134.36 120.23 19.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.28 116.15 28.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.92 149.59 28.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 179.831 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -149.2 27.34 0.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.993 179.766 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.7 mt -90.08 -41.37 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.221 179.802 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -47.85 81.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 -179.856 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.3 t -53.83 -52.32 60.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.834 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.85 -51.04 61.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.455 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.498 HD23 HG12 ' A' ' 129' ' ' ILE . 0.9 OUTLIER -55.57 -48.94 73.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.861 0.362 . . . . 0.0 110.912 -179.886 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.807 HD22 HD11 ' A' ' 144' ' ' LEU . 0.4 OUTLIER -56.89 -49.19 76.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.88 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -54.96 -49.97 70.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -55.89 -50.18 71.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.933 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.458 ' HA ' HD21 ' A' ' 103' ' ' LEU . 38.7 t-80 -55.6 -43.7 76.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.3 m -63.64 -38.57 91.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.661 ' HB3' HD12 ' A' ' 172' ' ' ILE . 21.6 m-85 -63.97 -61.65 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 -179.921 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.547 HD13 ' HA ' ' A' ' 122' ' ' GLN . 2.4 pp -54.23 -38.83 66.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.538 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -68.5 -35.45 77.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.977 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -70.68 -38.34 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 -179.842 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.565 ' HG2' HD11 ' A' ' 110' ' ' LEU . 3.6 ttp -75.13 -34.56 61.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.93 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.428 ' HA ' HD12 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -62.69 -25.79 68.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.959 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -59.84 -39.99 87.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.971 179.864 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -130.25 98.82 4.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.625 HD22 ' CB ' ' A' ' 114' ' ' LYS . 8.5 mt -149.03 178.02 9.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -79.19 -176.0 4.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.796 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -62.59 -51.06 68.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.882 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.48 -48.78 59.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.625 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.9 mmtm -55.96 -37.46 69.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -52.91 39.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.832 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -53.16 -45.89 68.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.896 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -70.68 -40.01 73.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.79 -42.66 75.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.038 179.802 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -55.6 -43.64 76.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.82 -34.75 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.417 HD21 HG12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -66.53 -52.08 49.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.997 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.547 ' HA ' HD13 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -64.83 -42.36 95.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.931 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -58.87 -53.14 61.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.691 ' O ' HD21 ' A' ' 33' ' ' LEU . 80.5 m-20 -56.87 -55.22 37.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.769 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.7 m -55.91 -44.57 78.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.843 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -53.97 -53.45 52.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.421 HG22 ' CD1' ' A' ' 131' ' ' ILE . 98.7 m -61.41 -36.05 79.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.577 HD23 HD22 ' A' ' 33' ' ' LEU . 1.1 tm? -64.06 -52.08 61.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.498 HG12 HD23 ' A' ' 96' ' ' LEU . 10.2 mt -60.08 -37.87 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.873 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.67 -48.17 78.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.735 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.421 ' CD1' HG22 ' A' ' 127' ' ' THR . 35.2 mt -64.01 -53.32 45.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.623 ' O ' HG23 ' A' ' 136' ' ' VAL . 2.8 m-85 -57.99 -41.69 83.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -61.6 -49.47 76.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -56.98 -51.24 70.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -56.0 -52.01 65.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 132' ' ' PHE . 99.0 t -59.73 -44.39 93.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.1 179.928 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -56.66 -44.25 81.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -77.11 -23.06 51.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 179.854 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' ' 140' ' ' HIS . 0.5 OUTLIER -73.22 -58.04 3.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.928 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.408 ' HB2' HD23 ' A' ' 139' ' ' LEU . 0.5 OUTLIER -151.05 29.99 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.832 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 30.6 mttt 61.69 166.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.0 tp -177.54 136.45 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.147 179.85 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.5 m -148.07 159.91 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 179.897 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.807 HD11 HD22 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -151.68 154.88 33.67 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.659 0.742 . . . . 0.0 110.917 179.991 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.519 ' O ' HG23 ' A' ' 146' ' ' THR . 54.3 Cg_endo -69.7 -87.03 0.0 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.749 2.3 . . . . 0.0 112.354 179.851 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.525 HG22 ' HD2' ' A' ' 147' ' ' PRO . 0.0 OUTLIER -178.8 159.0 1.02 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.505 0.669 . . . . 0.0 111.201 -179.964 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.525 ' HD2' HG22 ' A' ' 146' ' ' THR . 53.2 Cg_endo -69.78 154.83 67.2 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.767 2.311 . . . . 0.0 112.249 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.72 -35.46 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.899 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.739 ' O ' HD12 ' A' ' 153' ' ' LEU . 25.4 m -54.25 -28.24 40.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.946 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -51.46 -45.42 62.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -63.45 -31.92 73.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.049 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 24.9 mt -69.2 -57.57 5.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.739 HD12 ' O ' ' A' ' 149' ' ' SER . 1.5 mp -56.85 -46.32 81.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 65.9 p -63.95 -41.98 97.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -55.52 -38.24 68.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.42 123.34 28.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.22 142.92 18.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -166.14 179.53 5.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.911 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.1 m -160.83 89.61 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.763 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -164.07 46.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm 52.27 64.07 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -93.97 148.47 22.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 29.3 p-90 -132.21 26.27 4.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.7 mp -95.11 -25.95 16.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -56.61 -28.47 60.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -27.05 11.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 -179.922 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -69.78 -69.61 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.893 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.7 m -48.65 -45.87 39.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.453 HG21 HD21 ' A' ' 48' ' ' LEU . 1.7 mp -61.14 -50.23 81.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -58.24 -30.99 66.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.995 179.85 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 0.436 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -71.14 -55.35 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.967 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.661 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.0 pt -61.92 -37.2 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.032 -179.947 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.22 -56.4 10.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -54.02 -45.24 71.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 8.3 t -60.83 -49.34 77.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 9.1 tp -53.11 -55.71 21.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.36 -53.42 54.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.837 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.547 ' O ' HG23 ' A' ' 182' ' ' VAL . 0.0 OUTLIER -53.03 -46.15 68.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.948 -179.912 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.436 ' HE2' HD13 ' A' ' 96' ' ' LEU . 39.1 t80 -62.68 -36.0 81.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.585 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -63.22 -58.79 6.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.21 -45.88 79.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.845 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 178' ' ' GLU . 69.3 t -61.21 -52.78 57.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 54.8 m -51.53 -49.79 61.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.772 HD22 HG21 ' A' ' 34' ' ' ILE . 5.8 tp -61.38 -41.23 96.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -64.16 -30.8 71.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 26.9 t -74.51 -52.06 13.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 -179.83 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.2 t -59.87 -32.66 70.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -59.22 158.59 8.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -59.71 -21.01 60.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 81.0 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 -179.841 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.794 0.331 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -141.51 112.91 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.03 146.43 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.07 -179.964 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -163.28 151.11 13.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -67.78 178.66 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.42 55.38 0.5 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.454 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.49 -179.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -56.81 154.22 9.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 t -125.54 -36.75 2.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.915 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 43.92 -163.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.31 92.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.809 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.1 p -52.0 105.49 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.6 159.61 50.62 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.64 0.733 . . . . 0.0 111.169 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -170.77 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.729 2.286 . . . . 0.0 112.341 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -94.18 39.93 1.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -129.1 153.74 80.38 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.66 0.743 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.89 121.91 8.56 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.651 2.234 . . . . 0.0 112.337 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.408 ' O ' HG12 ' A' ' 24' ' ' VAL . 18.8 t -95.33 -10.17 9.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 63.68 54.29 1.88 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 -179.884 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.474 HG23 ' H ' ' A' ' 29' ' ' GLN . 1.8 t -108.51 159.07 16.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.171 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -51.08 -47.52 61.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.8 m -51.56 -51.33 56.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.474 ' H ' HG23 ' A' ' 26' ' ' THR . 6.4 tp-100 -61.01 -39.38 89.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 26' ' ' THR . 95.3 t -61.76 -54.4 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.56 -52.17 53.46 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.437 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.31 -39.47 92.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.523 -179.912 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.655 HD21 ' HB3' ' A' ' 128' ' ' LEU . 1.0 OUTLIER -66.45 -39.95 89.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 -179.909 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.456 HG13 HD23 ' A' ' 184' ' ' LEU . 21.7 mm -62.46 -53.07 52.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.854 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 t -61.26 -37.82 84.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -67.33 -55.27 14.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.563 HG22 HD11 ' A' ' 41' ' ' ILE . 9.1 p -62.15 -32.4 54.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.647 ' O ' HG23 ' A' ' 42' ' ' VAL . 16.4 mt -67.03 -48.3 68.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -63.97 -40.54 96.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -49.55 74.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.563 HD11 HG22 ' A' ' 37' ' ' VAL . 38.4 mt -58.96 -46.16 91.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.084 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 38' ' ' LEU . 97.7 t -59.37 -46.65 92.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.886 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -65.81 -42.89 90.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.9 ttt -66.72 -31.87 72.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -73.88 -50.44 20.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.503 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -70.0 -28.85 65.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.949 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -54.06 -36.64 63.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mp -58.38 -28.81 65.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 98.1 m -97.25 29.26 3.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.4 t30 58.55 26.47 14.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.74 35.92 49.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.41 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -90.75 115.25 27.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.792 0.329 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.4 p -62.95 -40.04 96.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.62 -26.22 63.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -29.61 70.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.915 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.456 ' HE2' ' HB3' ' A' ' 46' ' ' LYS . 5.5 mtp -63.37 -49.21 74.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -110.44 33.78 4.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -69.62 -42.22 74.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.18 27.43 0.94 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 179.894 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.47 ' HA ' ' HB3' ' A' ' 63' ' ' ALA . 7.0 p-10 -76.67 -25.91 54.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.971 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.8 -29.92 21.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.084 179.914 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.88 -38.47 5.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 60' ' ' ASP . . . -52.66 -38.99 61.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 179.862 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -54.7 -29.74 53.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.878 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -108.34 28.83 7.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -136.82 26.82 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.005 HD23 HD21 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -107.9 126.88 53.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 179.939 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.5 -28.26 25.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.836 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.005 HD21 HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -63.77 156.26 73.26 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.593 0.711 . . . . 0.0 110.989 179.883 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 121.44 8.12 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 179.909 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -146.42 125.94 13.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 57.3 mt -54.39 144.05 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -174.46 36.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -121.04 168.85 11.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -141.63 120.46 12.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.864 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -156.19 165.73 35.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.902 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.01 160.79 14.57 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 57.0 m -112.65 -31.37 6.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.5 t80 60.66 89.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.972 -179.822 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.5 ' O ' HG23 ' A' ' 81' ' ' THR . 4.0 mt-30 53.62 -171.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 80' ' ' GLN . 0.6 OUTLIER -162.49 134.11 5.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.911 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.49 -49.73 0.82 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.455 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.23 -47.55 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.929 -179.787 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -97.19 -177.18 3.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -55.2 165.38 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.959 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -164.25 74.71 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.835 -179.862 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.4 pt -120.15 70.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 82.9 m -118.34 59.38 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.4 mt -128.96 166.41 19.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -164.45 -170.45 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.55 104.2 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.956 179.83 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.1 mt -117.22 -26.88 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -48.81 50.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.907 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.4 m -53.88 -52.21 61.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.97 -50.95 62.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.543 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.475 HD13 HG12 ' A' ' 129' ' ' ILE . 39.1 mt -55.46 -50.46 69.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.836 0.35 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.519 HD22 HD23 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -55.7 -49.29 73.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.849 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -51.38 65.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.75 ' HB3' HD13 ' A' ' 176' ' ' LEU . 25.1 m-85 -55.53 -48.81 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -54.86 -47.52 74.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.1 t -62.28 -37.23 84.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.912 -179.844 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.691 ' HB3' HD12 ' A' ' 172' ' ' ILE . 18.5 m-85 -64.15 -64.51 0.87 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 pp -53.33 -37.61 62.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.27 -38.43 85.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.611 ' CE2' HD22 ' A' ' 153' ' ' LEU . 53.8 t80 -66.85 -42.35 85.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.899 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.481 ' HG2' HD11 ' A' ' 110' ' ' LEU . 4.5 ttp -74.93 -34.14 62.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.416 ' HA ' HD12 ' A' ' 110' ' ' LEU . 3.2 tmtt? -60.79 -27.93 68.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.91 -41.27 91.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.892 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -126.3 96.62 4.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.624 HD22 ' CB ' ' A' ' 114' ' ' LYS . 7.7 mt -148.36 177.96 8.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -78.86 -176.15 4.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 179.89 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -62.43 -51.08 68.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.82 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -70.46 -48.39 56.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.624 ' CB ' HD22 ' A' ' 110' ' ' LEU . 19.8 mmtm -55.94 -36.93 68.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 179.919 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -51.49 47.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.779 179.895 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.74 -48.09 69.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -69.86 -39.52 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.95 -46.05 74.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.183 179.876 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -55.73 -49.56 72.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.8 -179.932 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.38 -43.04 93.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.11 -50.06 75.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -58.49 -49.51 77.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -53.93 -53.07 57.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.88 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -55.44 -45.65 76.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.624 HG22 ' CD1' ' A' ' 129' ' ' ILE . 6.7 m -56.13 -51.4 68.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.154 -179.935 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -63.04 -30.65 71.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.51 ' HB ' HD11 ' A' ' 33' ' ' LEU . 85.9 m -68.81 -52.44 30.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.16 -179.92 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.655 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -65.73 -32.32 73.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.818 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.624 ' CD1' HG22 ' A' ' 125' ' ' THR . 72.9 mt -72.58 -39.06 60.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.895 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -71.8 -38.48 70.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.456 ' CD1' HG22 ' A' ' 127' ' ' THR . 29.2 mt -70.41 -45.68 74.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.55 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.7 m-85 -67.77 -43.28 80.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -65.91 -43.31 88.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -63.8 -48.27 77.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.95 -52.0 67.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 132' ' ' PHE . 98.5 t -63.14 -38.03 80.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.854 179.929 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -71.78 -35.61 70.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.457 HD23 ' HB2' ' A' ' 140' ' ' HIS . 7.2 tt -70.48 -41.6 72.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.457 ' HB2' HD23 ' A' ' 139' ' ' LEU . 12.7 t-160 -149.22 -75.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 179.798 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.425 ' O ' HG12 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -179.3 174.12 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.934 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.428 HD12 ' H ' ' A' ' 143' ' ' VAL . 6.1 tp -177.23 139.97 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.214 179.921 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.428 ' H ' HD12 ' A' ' 142' ' ' ILE . 6.7 m -152.59 -178.43 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.12 179.818 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.745 HD22 ' C ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -151.76 155.03 33.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.696 0.76 . . . . 0.0 110.881 179.946 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 144' ' ' LEU . 54.2 Cg_endo -69.8 -86.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.749 2.299 . . . . 0.0 112.342 179.84 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 178.84 147.44 0.38 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.634 0.73 . . . . 0.0 111.162 -179.951 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.63 12.38 Favored 'Trans proline' 0 N--CA 1.464 -0.213 0 C-N-CA 122.728 2.286 . . . . 0.0 112.338 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 17.0 tt -119.18 -30.5 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.0 p -52.1 -30.12 24.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -51.94 -50.98 60.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.43 -39.59 88.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.87 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 25.0 mt -59.47 -63.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.611 HD22 ' CE2' ' A' ' 105' ' ' TYR . 5.5 mt -52.86 -52.9 55.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 58.6 p -56.56 -32.95 65.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.85 -26.34 64.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -131.02 91.79 3.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 179.925 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.94 -59.29 1.88 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.959 179.919 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 63.29 97.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.88 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 42.3 m -106.27 111.11 23.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.759 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -164.43 -179.76 6.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -52.7 63.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.974 179.87 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -118.3 167.55 11.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -176.45 173.5 2.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.96 179.922 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 2.5 tp -105.74 26.5 9.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -63.85 -26.98 68.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -26.52 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.58 -68.97 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.873 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.8 m -48.61 -44.7 37.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.1 mm -63.15 -46.51 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.158 179.866 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -62.93 -32.1 73.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.74 -54.97 11.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.691 HD12 ' HB3' ' A' ' 102' ' ' TYR . 21.2 pt -60.52 -36.03 67.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.53 -50.56 58.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.88 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -58.36 -44.38 88.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.568 ' CB ' HD11 ' A' ' 69' ' ' LEU . 2.6 p -64.91 -43.76 91.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.75 HD13 ' HB3' ' A' ' 99' ' ' TYR . 16.6 tp -57.43 -55.91 28.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.76 -53.04 62.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.909 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.573 ' O ' HG23 ' A' ' 182' ' ' VAL . 5.9 mt-10 -53.08 -48.87 67.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.909 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -58.48 -47.43 84.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.873 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.575 HD21 HD22 ' A' ' 128' ' ' LEU . 2.3 mt -54.26 -55.64 26.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -54.12 -53.77 48.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 178' ' ' GLU . 59.0 t -56.92 -35.8 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.096 179.911 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 96.6 m -63.37 -60.22 3.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.622 ' O ' HD13 ' A' ' 184' ' ' LEU . 1.1 tm? -55.41 -37.85 68.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 30.6 ttt-85 -68.6 -47.89 65.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 3.4 t -60.28 -52.17 66.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.729 -179.726 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.7 t -60.61 -23.68 64.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 33.6 mtp85 -82.29 121.24 26.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -122.18 -46.03 2.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.927 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.704 0.288 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.42 101.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.8 t -144.62 134.23 19.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.998 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -160.95 89.87 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -59.01 164.35 3.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.21 52.52 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.35 167.81 12.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.752 0.31 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.04 -179.53 3.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.954 -179.874 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.0 t -112.47 -35.6 5.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 -179.941 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 59.62 -179.03 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -169.05 31.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.8 p -140.01 124.04 17.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.251 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.9 159.53 68.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.587 0.708 . . . . 0.0 111.09 -179.847 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 -173.08 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.58 2.187 . . . . 0.0 112.425 179.825 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -105.88 -26.39 11.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.55 156.61 66.55 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.614 0.721 . . . . 0.0 110.871 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 104.88 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.635 2.223 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.8 -12.58 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.871 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 63.53 41.12 7.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.529 HG23 ' H ' ' A' ' 29' ' ' GLN . 2.8 t -108.04 160.19 15.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.0 p -51.16 -48.46 61.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.208 179.975 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.83 -51.51 56.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.529 ' H ' HG23 ' A' ' 26' ' ' THR . 1.5 tm0? -61.4 -41.93 97.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 26' ' ' THR . 91.6 t -60.97 -54.25 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.7 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.33 -51.62 54.95 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 179.961 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.88 -42.15 94.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.904 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.509 HD11 ' HA ' ' A' ' 124' ' ' ASP . 0.8 OUTLIER -64.42 -50.66 66.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.718 0.294 . . . . 0.0 110.953 -179.949 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.641 HG21 ' HG ' ' A' ' 184' ' ' LEU . 24.2 mm -53.9 -44.2 60.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.822 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 31' ' ' GLY . 33.8 p -64.58 -45.6 86.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -62.51 -55.15 30.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.486 HG22 HD11 ' A' ' 41' ' ' ILE . 8.5 p -59.69 -33.4 51.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.894 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.623 ' O ' HG23 ' A' ' 42' ' ' VAL . 12.4 mt -65.1 -48.33 74.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.6 t90 -63.47 -41.19 98.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.886 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -62.13 -47.31 85.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.486 HD11 HG22 ' A' ' 37' ' ' VAL . 43.7 mt -60.4 -48.12 89.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 38' ' ' LEU . 86.6 t -56.6 -55.37 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.788 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -57.42 -45.84 84.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.502 ' SD ' HD11 ' A' ' 173' ' ' LEU . 0.0 OUTLIER -63.08 -31.89 73.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.825 179.962 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.19 -51.24 40.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -70.66 -28.64 64.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -56.59 -29.97 62.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.3 mt -62.94 -26.82 69.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 60.5 m -102.72 29.93 5.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.882 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 t30 62.76 32.42 16.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.85 35.85 92.54 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -90.78 107.18 19.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.752 0.31 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.06 -28.36 51.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.809 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -37.93 89.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -27.05 66.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.5 mtp -69.69 -45.62 67.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -106.4 34.46 3.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -94.07 -63.06 1.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.48 32.91 4.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -99.13 27.27 5.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.756 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.01 -34.46 5.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.856 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.17 -36.86 5.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.597 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -53.86 -36.8 63.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.092 179.818 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -54.74 -30.17 55.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -109.18 26.2 10.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -141.32 26.1 2.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -102.7 -48.3 4.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 179.957 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.01 24.09 9.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.2 mt -84.02 159.28 60.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.617 0.722 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 105.38 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.671 2.247 . . . . 0.0 112.385 179.822 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.95 161.07 42.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.7 mp -78.55 129.65 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.053 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -134.86 44.88 2.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.946 179.88 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 54.85 86.81 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.834 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -124.77 124.96 43.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.19 150.69 48.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.864 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 151.84 50.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.528 -179.95 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -140.35 105.39 4.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -176.89 3.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -108.07 -37.09 6.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.0 m 57.51 70.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.171 -179.921 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.25 -171.05 2.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.465 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 61.87 -177.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.93 0.395 . . . . 0.0 110.886 -179.815 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -55.0 174.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.827 -179.921 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.17 121.4 27.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.5 134.48 11.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.897 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.4 pt -136.9 151.39 27.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 30.5 p -69.6 166.93 17.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.3 -70.09 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 59.39 177.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 179.867 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.24 -172.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.831 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.3 mt 71.11 -69.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.105 179.808 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.77 -50.07 56.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.879 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -52.35 60.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.23 -46.56 94.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.595 HD22 ' CG1' ' A' ' 129' ' ' ILE . 20.5 mt -54.03 -44.78 71.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.742 0.306 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.551 HD22 HD23 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -65.06 -49.25 70.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.885 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.76 -53.0 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 179.848 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.411 ' HB3' HD13 ' A' ' 176' ' ' LEU . 24.0 m-85 -57.81 -47.4 82.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.978 -179.847 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.457 ' HA ' HD21 ' A' ' 103' ' ' LEU . 43.2 t-80 -54.53 -44.31 72.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.944 179.865 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -65.24 -41.48 94.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.408 ' HB3' HD12 ' A' ' 172' ' ' ILE . 15.5 m-85 -59.92 -63.0 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.874 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 104' ' ' GLU . 1.7 pp -54.27 -43.88 71.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.458 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.5 mm-40 -58.63 -39.67 81.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.565 ' CE1' HG22 ' A' ' 154' ' ' THR . 24.4 t80 -67.38 -44.98 77.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 -179.876 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 37.9 ttp -68.51 -30.93 69.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.06 -25.81 67.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.954 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -60.12 -37.49 80.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -134.01 100.78 4.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.637 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.1 mt -148.37 175.38 11.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -72.42 -176.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.789 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -63.01 -51.12 68.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -73.63 -45.74 51.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.637 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.8 mmtm -55.85 -39.86 72.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.928 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -68.04 -48.98 64.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.88 -48.8 66.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -72.67 -36.59 67.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.95 -45.74 74.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.079 179.713 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -55.65 -49.44 72.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.8 -40.43 85.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.464 HD21 HG12 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -61.37 -50.02 74.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -52.02 67.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 179.896 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 36.4 ttm-85 -53.73 -53.2 55.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.509 ' HA ' HD11 ' A' ' 33' ' ' LEU . 74.4 m-20 -54.07 -45.99 71.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.804 -179.917 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.669 HG22 ' CD1' ' A' ' 129' ' ' ILE . 11.0 m -56.9 -51.17 70.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.169 -179.869 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -63.27 -28.18 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.468 HG22 HD11 ' A' ' 131' ' ' ILE . 21.9 m -71.69 -56.1 6.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.861 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 pp -62.3 -34.54 76.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.931 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.669 ' CD1' HG22 ' A' ' 125' ' ' THR . 79.1 mt -70.32 -47.61 65.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.253 179.738 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -61.6 -40.61 95.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 179.829 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.468 HD11 HG22 ' A' ' 127' ' ' THR . 24.1 mt -67.04 -52.33 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -61.64 -46.55 89.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.56 -41.17 96.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.793 -179.939 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -63.56 -45.55 89.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -60.96 -52.24 65.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.4 m -65.43 -30.81 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -42.8 80.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.904 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -76.59 -30.63 57.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.9 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 28.2 tp -71.29 -47.37 57.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -141.78 -75.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.874 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -179.74 167.27 1.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.434 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.74 143.77 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 179.829 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.434 ' N ' HD13 ' A' ' 142' ' ' ILE . 5.8 m -153.09 178.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.856 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.741 HD22 ' C ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -152.01 154.89 33.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.681 0.753 . . . . 0.0 110.884 -179.98 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 144' ' ' LEU . 54.1 Cg_endo -69.74 -87.05 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.716 2.277 . . . . 0.0 112.324 179.909 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 178.12 147.28 0.35 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.562 0.696 . . . . 0.0 111.155 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 108.07 2.0 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.661 2.24 . . . . 0.0 112.361 179.927 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 2.9 tt -116.89 -24.78 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.154 179.922 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.99 -35.05 45.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.89 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -50.7 -51.14 52.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.68 -48.88 71.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.5 mt -54.07 -55.62 25.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.91 -63.07 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.565 HG22 ' CE1' ' A' ' 105' ' ' TYR . 61.9 p -51.77 -32.99 33.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -72.31 -34.82 68.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -82.8 118.88 23.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 14.1 tp -173.41 141.91 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -163.51 165.61 23.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.1 m -86.59 145.93 26.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.81 -174.72 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.09 -71.56 0.17 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.908 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.91 -55.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 20.4 m-90 -62.58 110.74 1.8 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 5.2 tp -173.1 -62.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.96 -26.72 63.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.941 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.76 -26.46 9.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -179.91 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -69.3 -69.69 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.9 m -48.85 -44.59 39.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.217 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.52 -48.32 89.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.185 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -62.07 -29.22 70.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 179.877 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -55.21 8.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.408 HD12 ' HB3' ' A' ' 102' ' ' TYR . 17.9 pt -60.1 -37.47 73.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 179.9 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.502 HD11 ' SD ' ' A' ' 44' ' ' MET . 3.6 mm? -67.74 -54.99 14.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.541 ' NZ ' HD11 ' A' ' 67' ' ' LEU . 1.8 ttpm? -57.94 -45.6 86.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.004 179.804 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.4 t -61.23 -46.37 90.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.411 HD13 ' HB3' ' A' ' 99' ' ' TYR . 22.3 tp -56.61 -58.12 9.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -52.73 -51.25 61.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.598 ' O ' HG13 ' A' ' 182' ' ' VAL . 8.1 mt-10 -58.34 -38.51 77.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.417 ' HA ' HG22 ' A' ' 182' ' ' VAL . 38.2 t80 -68.97 -30.04 68.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 55.1 mt -73.22 -46.65 49.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -64.13 -43.88 93.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.808 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 178' ' ' GLU . 21.9 m -68.96 -36.81 75.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.929 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 187' ' ' THR . 21.6 m -72.37 -34.99 68.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.641 ' HG ' HG21 ' A' ' 34' ' ' ILE . 1.7 tm? -73.84 -40.25 63.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -75.22 -32.96 61.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 32.9 t -74.07 -51.55 15.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.771 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 183' ' ' THR . 14.0 t -57.85 -29.79 65.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 -179.943 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -80.93 95.85 6.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.791 -179.938 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -93.23 -18.35 22.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.07 -179.878 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.889 0.376 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.0 93.73 2.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.951 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.1 t -133.8 140.44 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.23 80.13 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -101.36 178.61 4.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.99 30.39 14.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.538 -179.874 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -118.88 83.38 2.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.786 0.327 . . . . 0.0 110.805 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -133.14 163.64 28.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.769 -179.911 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.7 t -123.05 -35.05 3.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.209 -179.862 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -52.09 145.69 10.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -165.25 29.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.911 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.1 p -147.26 158.73 44.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -179.958 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.4 159.63 70.87 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.531 0.682 . . . . 0.0 111.155 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -170.95 0.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.725 2.283 . . . . 0.0 112.383 179.938 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -90.5 -42.6 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -125.82 155.28 73.01 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.633 0.73 . . . . 0.0 110.834 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 137.38 35.15 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.702 2.268 . . . . 0.0 112.319 -179.969 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.4 m -111.09 -19.48 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.152 179.93 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 60.65 32.97 20.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 -179.848 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.2 p -106.63 175.2 5.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.213 179.936 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.03 -35.33 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.9 m -68.3 -45.02 74.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.823 -179.854 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -61.06 -51.14 70.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.1 m -61.73 -41.18 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.7 -52.42 53.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.416 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.98 -39.32 97.93 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.511 -179.871 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.727 HD21 ' O ' ' A' ' 124' ' ' ASP . 5.1 tt -66.53 -34.81 78.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.84 -179.828 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.034 HG21 HD13 ' A' ' 184' ' ' LEU . 10.1 mm -68.64 -50.68 53.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.078 179.798 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.9 t -62.86 -37.87 88.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.949 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -66.16 -55.46 16.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.472 HG22 HD11 ' A' ' 41' ' ' ILE . 7.6 p -60.78 -32.57 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 179.965 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.63 ' O ' HG23 ' A' ' 42' ' ' VAL . 7.6 mt -66.6 -48.44 69.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -63.82 -40.11 95.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -64.09 -45.07 90.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.609 HG12 HD21 ' A' ' 121' ' ' LEU . 48.4 mt -62.37 -44.66 99.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.058 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 38' ' ' LEU . 86.4 t -60.62 -50.09 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -66.09 -40.93 91.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.438 ' O ' HD13 ' A' ' 48' ' ' LEU . 4.1 ttp -66.76 -32.23 73.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.816 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -72.75 -50.63 23.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -70.18 -28.89 65.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.22 -38.82 68.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.98 179.911 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.524 HD12 ' HE3' ' A' ' 114' ' ' LYS . 8.8 mp -54.62 -28.59 47.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.76 34.79 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 60.8 28.33 18.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.8 40.97 97.74 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -98.04 105.82 18.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 64.7 p -54.02 -33.46 57.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 -179.901 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -30.97 69.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.41 -32.85 74.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.0 mtp -69.25 -36.8 77.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -111.43 30.01 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.19 -63.86 1.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.84 23.6 13.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -76.07 -26.74 56.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.74 -25.6 55.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.3 pp -115.59 -41.07 3.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.45 -29.03 65.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 179.761 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -62.39 -26.32 68.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.945 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -123.74 30.6 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -133.81 27.04 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.619 HD23 HD21 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -104.28 127.55 51.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.997 179.868 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.69 -33.34 41.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.9 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.619 HD21 HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -63.98 156.44 73.85 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.582 0.706 . . . . 0.0 110.904 179.9 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 120.59 7.35 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.251 . . . . 0.0 112.323 179.877 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.76 121.04 8.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.635 HD11 HD11 ' A' ' 89' ' ' LEU . 6.4 mt -51.71 143.13 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.921 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.23 121.95 5.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 62.32 69.52 0.61 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.855 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -135.95 126.03 26.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 -179.927 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -84.44 173.99 10.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.877 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.01 -176.79 31.63 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.511 -179.881 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 33.8 m -95.22 -62.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.858 -179.848 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 62.05 -174.72 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.975 -179.925 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -109.11 131.69 54.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.83 -66.19 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.885 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.23 -128.22 0.99 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.555 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -115.84 114.02 24.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.41 43.61 13.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.96 29.67 6.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.814 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -160.52 162.96 33.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -152.66 133.08 4.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.183 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 36.8 m -139.61 115.35 10.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.635 HD11 HD11 ' A' ' 72' ' ' ILE . 2.3 mm? 59.81 179.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.2 tp -147.3 -52.31 0.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.871 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -95.52 -76.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.857 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.564 HD11 ' CB ' ' A' ' 89' ' ' LEU . 7.7 mt 72.72 -62.28 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.132 179.871 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -50.36 -49.21 54.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.9 m -54.04 -52.57 60.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.44 -46.73 93.75 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 mp -55.89 -44.96 78.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.903 0.383 . . . . 0.0 110.968 -179.94 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.701 HD11 HD22 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.62 -49.34 75.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.915 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.29 -54.15 47.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.528 ' HB3' HD13 ' A' ' 176' ' ' LEU . 26.0 m-85 -55.8 -47.04 77.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.943 -179.894 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.487 ' HA ' HD21 ' A' ' 103' ' ' LEU . 36.7 t-80 -55.44 -42.78 74.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -31.19 68.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.834 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.781 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.6 m-85 -70.53 -53.39 16.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.487 HD21 ' HA ' ' A' ' 100' ' ' HIS . 1.4 pp -63.17 -44.97 93.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.442 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.1 pp20? -65.6 -31.75 72.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.876 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.752 ' CE1' HG22 ' A' ' 154' ' ' THR . 18.2 t80 -68.78 -52.36 31.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 -179.871 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.666 ' CE ' HD11 ' A' ' 110' ' ' LEU . 18.4 ptm -72.33 -25.89 61.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.804 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -36.69 78.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -38.08 81.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -118.11 92.41 3.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.668 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.1 mt -149.02 178.05 9.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.83 -176.0 3.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.85 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.03 -51.29 67.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.819 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -72.36 -46.87 53.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.911 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.668 ' CB ' HD22 ' A' ' 110' ' ' LEU . 20.7 mmtm -55.71 -38.27 69.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -48.33 64.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 179.914 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.0 -48.22 70.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.847 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -72.38 -37.93 68.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.78 -45.79 74.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.811 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -55.75 -45.79 77.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.7 t -66.41 -33.16 61.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.609 HD21 HG12 ' A' ' 41' ' ' ILE . 1.2 tp -66.57 -51.08 60.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.968 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -63.86 -41.15 97.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -60.99 -53.32 58.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.831 -179.94 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.727 ' O ' HD21 ' A' ' 33' ' ' LEU . 13.6 m-20 -56.76 -54.96 40.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.9 m -54.53 -47.16 73.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.926 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -54.45 -47.56 72.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.456 ' O ' HD12 ' A' ' 131' ' ' ILE . 0.7 OUTLIER -63.37 -45.26 92.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.213 -179.979 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.622 ' O ' HD12 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -63.65 -35.21 79.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.912 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 74.7 mt -71.27 -39.75 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -46.53 78.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.883 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 127' ' ' THR . 8.8 mt -64.28 -49.17 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.96 -47.73 85.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.782 -179.925 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -59.49 -41.02 88.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -63.19 -48.77 76.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.433 ' O ' HD23 ' A' ' 139' ' ' LEU . 6.5 mt-10 -57.51 -52.48 65.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.96 -30.22 49.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.24 179.857 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -69.2 -36.3 77.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.891 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -88.09 -20.38 25.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 135' ' ' GLU . 2.5 mm? -82.26 -58.1 3.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.75 31.37 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.844 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 40.5 mttm 59.97 177.8 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 7.7 tp -175.95 143.58 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.197 179.933 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.5 m -139.54 173.99 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.223 179.826 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.701 HD22 HD11 ' A' ' 97' ' ' LEU . 0.8 OUTLIER -146.2 155.24 50.62 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 121.572 0.701 . . . . 0.0 110.934 179.998 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -87.15 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 179.846 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 177.7 147.06 0.32 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.56 0.695 . . . . 0.0 111.145 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 117.59 5.18 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.662 2.242 . . . . 0.0 112.332 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.9 tt -128.55 -38.32 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.7 m -51.97 -44.37 63.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . 0.532 ' O ' HG23 ' A' ' 154' ' ' THR . 23.0 t30 -50.99 -43.78 60.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -59.58 -54.49 45.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 11.1 mp -51.54 -55.51 18.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.472 HD11 HG21 ' A' ' 168' ' ' THR . 3.5 mm? -52.64 -62.79 1.42 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.886 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.752 HG22 ' CE1' ' A' ' 105' ' ' TYR . 65.4 p -51.34 -32.91 27.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.878 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -37.63 82.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.25 170.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 61.52 48.68 5.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.912 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.03 154.28 31.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.874 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.17 166.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.816 -179.785 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -64.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -154.51 102.68 2.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -59.58 -26.54 65.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 1.8 t90 63.05 82.39 0.18 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 63.32 161.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.93 -27.77 33.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . 0.458 HG23 HD23 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -52.43 -27.22 15.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 -179.959 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -70.12 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.949 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . 0.472 HG21 HD11 ' A' ' 153' ' ' LEU . 94.2 m -49.12 -44.19 42.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.083 -179.929 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.71 -46.06 97.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -59.73 -35.87 75.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.01 -55.37 11.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.781 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.9 pt -61.63 -35.76 69.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 14.9 mt -66.56 -50.75 62.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -58.71 -47.71 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.433 ' CB ' HD11 ' A' ' 69' ' ' LEU . 53.1 m -59.49 -46.21 89.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.938 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.528 HD13 ' HB3' ' A' ' 99' ' ' TYR . 14.7 tp -56.42 -54.16 48.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.73 -54.96 30.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.952 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.582 ' O ' HG23 ' A' ' 182' ' ' VAL . 8.6 mt-10 -56.75 -43.99 81.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.905 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -60.71 -34.46 74.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 17.4 mt -69.29 -59.86 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.992 179.932 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -51.29 -41.53 60.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.816 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.626 HG11 HG21 ' A' ' 72' ' ' ILE . 78.6 t -66.3 -50.08 70.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 56.1 m -51.13 -45.91 61.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 1.034 HD13 HG21 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -67.91 -45.92 73.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.845 179.964 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -57.57 -28.38 63.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.6 -50.78 8.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.816 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.59 HG22 ' HA ' ' A' ' 184' ' ' LEU . 7.3 t -66.49 -16.0 63.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -179.921 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.63 100.64 7.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 -179.933 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -60.03 -21.13 60.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 36.8 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.164 -179.911 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.854 0.359 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -143.7 101.45 3.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.5 t -146.1 145.88 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.09 -179.957 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.73 119.11 37.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.96 -179.69 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.8 49.72 0.62 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 -179.942 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.04 132.86 51.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 110.835 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -124.23 172.18 9.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.2 t -116.98 -32.74 4.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -179.932 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -128.93 166.76 18.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 -179.929 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -153.93 38.54 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 p 53.09 -174.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.909 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.04 159.63 29.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.633 0.73 . . . . 0.0 111.086 -179.924 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 177.25 5.78 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.757 2.305 . . . . 0.0 112.298 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -153.83 52.16 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.787 179.997 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 61.68 160.81 0.11 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.566 0.698 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.72 79.36 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.738 2.292 . . . . 0.0 112.315 -179.98 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.446 ' HB ' HG22 ' A' ' 26' ' ' THR . 35.7 t -88.14 -15.94 9.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.911 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 63.7 22.95 13.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.965 -179.865 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.547 HG23 ' H ' ' A' ' 29' ' ' GLN . 4.4 t -87.59 159.29 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -51.5 -47.77 63.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.3 -51.45 54.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.802 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.547 ' H ' HG23 ' A' ' 26' ' ' THR . 0.5 OUTLIER -59.75 -38.16 81.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 -179.963 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.73 -54.26 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.688 ' O ' HG23 ' A' ' 35' ' ' THR . . . -57.06 -52.86 48.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.525 179.917 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.77 -41.51 93.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.539 -179.898 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.678 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.0 OUTLIER -62.67 -46.7 86.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 110.835 -179.908 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.596 ' N ' HD23 ' A' ' 33' ' ' LEU . 27.2 mm -57.67 -41.96 80.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 31' ' ' GLY . 19.9 p -65.83 -42.21 90.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -59.32 -55.68 31.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.794 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.462 HG22 ' CD1' ' A' ' 41' ' ' ILE . 5.9 p -60.06 -39.56 80.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.5 mp -56.63 -48.97 76.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -67.92 -37.07 81.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -43.5 95.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.775 HG23 HD12 ' A' ' 173' ' ' LEU . 70.2 mt -66.39 -46.67 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.168 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 38' ' ' LEU . 95.4 t -59.41 -43.02 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.835 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.86 -43.31 65.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.3 ttt -65.42 -31.55 72.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.08 -51.11 12.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -67.75 -28.74 67.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.96 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.82 -34.19 65.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.431 HD23 ' HE2' ' A' ' 114' ' ' LYS . 27.2 mt -55.94 -33.77 65.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.6 m -96.54 32.43 2.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 56.45 32.16 20.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.801 179.987 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.45 38.44 96.32 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.394 179.94 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -90.08 113.84 25.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.3 m -58.78 -26.78 64.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -66.46 -36.2 82.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -33.94 77.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 19.2 mtp -61.04 -31.26 70.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.761 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -116.23 26.71 9.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -91.65 -62.0 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.915 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.15 26.31 10.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.869 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -97.83 27.67 4.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.91 -27.92 7.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.09 -32.64 7.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.91 -43.15 66.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -63.28 -26.12 68.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -108.1 26.51 10.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -142.64 26.23 1.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -104.81 155.13 19.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 179.852 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.39 17.42 2.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 179.834 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.526 HD23 ' HE1' ' A' ' 99' ' ' TYR . 8.8 mp -84.03 160.32 58.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.553 0.692 . . . . 0.0 110.959 179.931 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.62 85.69 0.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.397 179.851 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -111.89 160.93 16.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.455 HD12 HG12 ' A' ' 182' ' ' VAL . 50.1 mt -79.3 109.18 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -119.19 39.37 3.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.979 179.91 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -127.67 174.14 9.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -128.98 -69.74 0.69 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -169.34 -173.87 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.803 179.842 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.47 114.12 2.8 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.451 -179.944 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.3 t -173.68 38.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -164.78 -66.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.869 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -74.78 -51.89 12.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.9 m -75.12 -30.94 60.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 -179.874 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.22 116.91 10.04 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -135.78 -51.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -179.726 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -74.49 -33.42 62.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -153.09 161.52 42.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -154.87 79.61 1.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 73.0 mt -111.31 -70.5 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.225 179.92 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.9 m 52.54 77.14 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.8 105.2 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.405 HD23 HG12 ' A' ' 72' ' ' ILE . 9.5 mp -88.31 171.17 10.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.831 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.35 -73.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.834 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.492 HG23 ' HZ ' ' A' ' 179' ' ' PHE . 7.8 mt 73.62 -60.19 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 179.868 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 p -49.8 -44.06 48.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 99.8 p -60.53 -52.61 64.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.7 -51.5 58.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.429 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.415 HD23 HG12 ' A' ' 129' ' ' ILE . 0.8 OUTLIER -52.5 -48.89 65.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 -179.817 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -58.1 -49.43 76.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -53.34 -49.81 66.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.526 ' HE1' HD23 ' A' ' 69' ' ' LEU . 12.4 m-85 -57.55 -48.33 79.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.851 -179.758 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.515 ' HA ' HD21 ' A' ' 103' ' ' LEU . 31.6 t-80 -54.23 -42.18 69.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.87 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.84 -32.4 69.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.846 -179.753 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.571 ' HB3' HD12 ' A' ' 172' ' ' ILE . 20.5 m-85 -70.58 -51.48 28.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.82 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.675 HD21 HG21 ' A' ' 125' ' ' THR . 1.7 pp -64.86 -45.34 86.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.49 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.1 pp20? -64.78 -32.07 73.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.708 ' CE1' HG22 ' A' ' 154' ' ' THR . 2.6 t80 -70.52 -46.89 62.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.827 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.87 ' HE2' HD11 ' A' ' 110' ' ' LEU . 6.6 ttt -72.4 -29.81 64.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.803 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -61.96 -33.76 74.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -30.88 69.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -132.58 95.23 3.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.87 HD11 ' HE2' ' A' ' 106' ' ' MET . 5.8 mt -149.05 178.01 9.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -75.11 -176.01 2.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.993 179.778 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.18 -51.28 67.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 179.865 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -73.7 -45.98 49.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.602 ' CB ' HD22 ' A' ' 110' ' ' LEU . 0.9 OUTLIER -55.62 -37.61 68.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.917 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -51.78 40.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.908 179.835 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.07 -47.29 65.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.4 -37.97 68.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.11 -43.77 74.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -55.58 -50.2 70.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.55 -45.25 97.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.951 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -50.92 67.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.465 ' HA ' HD13 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -64.97 -28.94 69.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.837 179.974 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 58.2 ttm-85 -64.17 -54.64 30.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -64.84 -39.63 93.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.675 HG21 HD21 ' A' ' 103' ' ' LEU . 30.3 m -58.08 -48.88 78.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 -179.883 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -64.83 -40.0 94.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.2 m -63.67 -53.23 54.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -179.883 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.678 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -62.57 -33.71 75.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.894 179.984 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.415 HG12 HD23 ' A' ' 96' ' ' LEU . 20.6 mt -69.44 -37.12 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 179.774 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -70.94 -40.96 71.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.775 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 59.0 mt -66.32 -50.49 67.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -63.84 -50.1 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -58.83 -39.89 82.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -63.21 -50.67 69.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.09 -52.18 66.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.4 p -65.51 -27.78 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.189 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -42.76 76.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -73.73 -38.6 64.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.842 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.45 -57.96 3.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -128.15 -169.2 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 179.894 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -93.41 -178.71 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.479 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.64 146.45 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.83 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.479 ' N ' HD13 ' A' ' 142' ' ' ILE . 6.2 m -138.65 122.19 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.91 86.31 0.29 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.556 0.693 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.93 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 179.917 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 178.5 148.52 0.39 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.549 0.69 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.63 -174.96 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.773 2.315 . . . . 0.0 112.354 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 14.2 tt -124.29 -34.87 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.221 179.838 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -30.08 20.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -51.08 -49.99 59.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.33 -46.57 69.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 15.6 mt -59.38 -47.53 85.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.407 HD23 ' CD2' ' A' ' 105' ' ' TYR . 0.9 OUTLIER -56.22 -63.22 1.26 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.845 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.708 HG22 ' CE1' ' A' ' 105' ' ' TYR . 72.7 p -56.32 -32.97 65.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -63.94 -32.19 73.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.895 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -53.44 140.07 28.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 14.0 tp -170.84 122.54 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.43 -176.92 5.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 179.918 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.4 m -128.62 37.91 4.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.897 -179.824 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -170.33 35.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -179.937 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -108.11 103.58 12.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.2 -57.29 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . 0.479 ' O ' HD22 ' A' ' 164' ' ' LEU . 0.0 OUTLIER -100.88 38.17 1.59 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.945 -179.962 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.479 HD22 ' O ' ' A' ' 163' ' ' TRP . 3.6 mm? -127.85 -45.67 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -28.52 68.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 179.933 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.5 -26.9 5.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.127 -179.866 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -68.85 -69.01 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.848 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 94.9 m -48.49 -46.58 38.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.134 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 36.9 mm -60.4 -46.47 95.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -62.93 -30.09 71.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -70.47 -53.14 17.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 -179.904 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.571 HD12 ' HB3' ' A' ' 102' ' ' TYR . 23.2 pt -63.12 -37.99 80.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.202 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.775 HD12 HG23 ' A' ' 41' ' ' ILE . 3.3 mm? -69.92 -57.88 4.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.869 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -31.16 65.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.007 179.809 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 88.5 p -73.34 -46.89 46.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.799 -179.832 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.8 tp -58.69 -47.43 84.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.533 ' HB2' HG21 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -65.5 -52.8 50.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.902 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.428 ' O ' HG23 ' A' ' 182' ' ' VAL . 33.6 mm-40 -54.91 -50.08 69.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.492 ' HZ ' HG23 ' A' ' 92' ' ' ILE . 65.8 t80 -68.02 -29.26 68.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.58 ' HB3' HD11 ' A' ' 38' ' ' LEU . 6.0 mt -63.27 -61.18 2.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . 0.408 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -61.4 -40.94 96.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.79 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.455 HG12 HD12 ' A' ' 72' ' ' ILE . 39.6 t -63.14 -43.5 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.864 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 31.6 m -65.84 -41.7 91.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 -179.979 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.534 ' O ' HD13 ' A' ' 184' ' ' LEU . 2.0 tm? -63.58 -44.86 92.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -66.87 -39.03 87.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.823 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.53 -51.85 65.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.077 0.465 . . . . 0.0 110.899 -179.832 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 15.2 t -65.73 -24.96 67.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.2 -179.925 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -82.64 117.01 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.34 16.53 21.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.859 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.149 -179.951 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -116.37 94.44 4.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 p -93.23 147.45 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -110.68 93.63 4.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -119.44 171.73 8.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.06 -34.77 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.501 -179.957 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.37 147.47 7.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 0.0 110.847 179.935 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.17 167.66 21.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.899 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.7 t -119.74 -41.28 2.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 -179.935 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 43.86 -163.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -169.69 75.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 p 52.88 -173.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.098 -179.9 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.25 159.54 31.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.559 0.695 . . . . 0.0 111.258 179.979 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -170.97 0.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.739 2.293 . . . . 0.0 112.375 179.925 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -112.63 -25.66 9.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -158.15 153.67 22.45 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.573 0.701 . . . . 0.0 110.805 -179.907 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.64 111.66 2.84 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.701 2.267 . . . . 0.0 112.344 179.899 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.431 ' HB ' HG22 ' A' ' 26' ' ' THR . 58.7 t -93.21 -21.69 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.826 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 63.11 16.93 9.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.565 ' O ' HG23 ' A' ' 30' ' ' VAL . 9.6 t -91.45 168.85 11.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 p -50.5 -45.12 56.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.72 -51.36 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.838 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -61.61 -35.04 76.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 26' ' ' THR . 98.5 t -63.97 -54.16 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.72 ' O ' HG23 ' A' ' 35' ' ' THR . . . -60.2 -51.94 55.75 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.949 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.5 -40.15 95.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.378 -179.898 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.691 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.4 OUTLIER -64.49 -45.15 88.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.744 0.307 . . . . 0.0 110.901 -179.902 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.612 ' CD1' HD23 ' A' ' 184' ' ' LEU . 96.8 mt -61.58 -40.95 88.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.032 179.91 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.72 HG23 ' O ' ' A' ' 31' ' ' GLY . 34.7 p -64.78 -45.18 87.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.188 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -60.84 -55.37 33.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.647 HG22 HD11 ' A' ' 41' ' ' ILE . 14.7 p -59.63 -35.54 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 42' ' ' VAL . 10.6 mt -62.06 -48.5 79.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -63.19 -43.15 99.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.39 -42.87 96.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.647 HD11 HG22 ' A' ' 37' ' ' VAL . 22.9 mt -63.98 -46.77 93.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 179.886 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 38' ' ' LEU . 85.9 t -57.34 -47.56 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.839 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.52 -40.54 95.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.409 ' SD ' HD22 ' A' ' 121' ' ' LEU . 13.1 ttt -67.56 -35.18 78.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.959 179.891 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.63 -51.15 45.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.3 -28.7 66.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.869 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -53.88 -37.3 63.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.8 mp -54.55 -37.05 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 54.1 m -95.25 38.13 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t30 56.18 29.85 15.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 59.3 40.97 96.61 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -100.9 115.06 29.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.804 0.335 . . . . 0.0 110.829 -179.848 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.1 p -54.45 -28.71 46.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -26.67 55.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.799 -179.98 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.02 -26.94 33.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.816 -179.841 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.5 mmm -72.46 -31.03 65.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -112.48 30.54 7.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -96.21 -74.16 0.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.96 28.7 4.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -99.15 26.35 5.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.78 -30.86 4.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 -179.994 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.76 -32.96 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.968 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.79 -37.36 71.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.012 179.818 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -54.55 -29.19 50.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.801 -179.874 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -117.37 36.47 4.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -152.34 28.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.19 134.19 44.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.4 -26.78 26.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.828 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.21 160.63 47.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.647 0.737 . . . . 0.0 110.883 179.886 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 124.47 11.14 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.856 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -127.4 149.75 49.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.483 HD11 HG13 ' A' ' 182' ' ' VAL . 18.2 pt -119.77 146.9 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.182 179.955 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -132.4 -178.03 4.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -63.89 135.28 56.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -118.49 125.21 49.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -99.22 39.07 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.796 -179.996 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.99 127.82 5.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -47.0 77.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.84 0.352 . . . . 0.0 110.865 -179.854 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -133.45 -66.23 0.66 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -170.73 160.78 7.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.8 m -76.31 130.23 37.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 -179.892 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.46 152.12 12.41 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.971 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.8 t80 62.53 67.36 0.72 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.6 148.01 47.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -168.21 -41.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -101.76 127.08 48.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 39.3 pt -91.53 166.29 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.9 m -102.81 136.33 42.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.819 179.864 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -103.95 -54.23 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.6 mt 61.84 -175.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.99 93.06 1.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.9 mt -113.79 -26.9 2.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.191 179.808 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 p -71.06 -46.59 61.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.78 -52.46 60.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.812 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.0 -47.62 88.82 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.514 179.958 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 mp -57.43 -50.99 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.955 -179.89 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.078 HD22 HD21 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -57.17 -49.24 76.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.828 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -49.97 70.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -55.64 -51.7 66.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.497 ' HA ' HD21 ' A' ' 103' ' ' LEU . 59.6 t-80 -54.28 -44.52 71.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.3 p -63.48 -37.65 88.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.414 ' HD1' HD22 ' A' ' 153' ' ' LEU . 18.6 m-85 -66.0 -64.3 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.927 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.497 HD21 ' HA ' ' A' ' 100' ' ' HIS . 1.1 pp -51.0 -47.17 61.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.456 ' N ' HD12 ' A' ' 103' ' ' LEU . 29.6 tt0 -57.54 -51.15 70.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.9 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.691 ' CD2' HD23 ' A' ' 153' ' ' LEU . 2.2 t80 -57.5 -34.91 69.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.964 -179.868 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.48 ' HG2' HD11 ' A' ' 110' ' ' LEU . 1.3 ttt -74.37 -41.94 60.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.831 179.942 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.532 ' HB2' ' HB1' ' A' ' 118' ' ' ALA . 6.4 tptm -64.64 -25.82 68.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -20.57 56.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -154.71 79.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.969 179.961 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 114' ' ' LYS . 5.0 mt -127.65 178.17 6.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -68.91 -175.93 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.834 179.897 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -64.07 -51.15 65.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.781 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -75.54 -46.34 32.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.631 ' HB3' HD13 ' A' ' 110' ' ' LEU . 20.1 mmtm -55.81 -29.15 59.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.844 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -69.89 -45.42 67.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.844 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.583 ' O ' HG23 ' A' ' 120' ' ' VAL . 0.1 OUTLIER -66.86 -36.6 82.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.957 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.68 -48.19 23.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 179.955 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.532 ' HB1' ' HB2' ' A' ' 107' ' ' LYS . . . -58.24 -48.55 80.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.797 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -53.69 -50.17 66.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 116' ' ' ASP . 95.8 t -59.33 -44.74 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 -179.958 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.409 HD22 ' SD ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -58.3 -43.91 88.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.965 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.453 ' HA ' HD13 ' A' ' 103' ' ' LEU . 1.5 tt0 -61.17 -50.02 74.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -52.82 59.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.3 -50.34 69.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.599 ' HA ' HD23 ' A' ' 128' ' ' LEU . 7.5 m -56.55 -50.43 71.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.932 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -54.79 -38.87 67.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.441 ' HB ' HD11 ' A' ' 33' ' ' LEU . 2.5 m -64.76 -54.41 31.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 -179.902 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.691 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -59.87 -31.22 69.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.887 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 74.6 mt -72.99 -40.21 58.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.073 179.906 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -65.54 -45.49 83.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.6 mt -66.94 -45.95 86.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.537 ' O ' HG23 ' A' ' 136' ' ' VAL . 4.8 m-85 -65.62 -44.87 85.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.976 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -61.56 -42.82 99.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.773 -179.878 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.39 -54.37 37.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 -179.953 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -55.46 -52.18 64.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 132' ' ' PHE . 91.9 t -61.05 -47.42 93.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -51.79 -46.16 64.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.93 179.895 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.68 -23.82 49.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 179.926 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.5 tp -71.22 -57.91 4.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.22 31.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 179.917 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 15.4 mttt 63.31 170.22 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.444 HD12 ' H ' ' A' ' 143' ' ' VAL . 6.1 tp -177.25 141.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.174 179.835 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.444 ' H ' HD12 ' A' ' 142' ' ' ILE . 6.4 m -152.8 178.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.109 179.878 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 1.078 HD21 HD22 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -148.79 155.28 41.12 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.63 0.729 . . . . 0.0 110.937 179.95 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.414 ' N ' HD12 ' A' ' 144' ' ' LEU . 53.4 Cg_endo -69.76 -87.05 0.0 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.766 2.311 . . . . 0.0 112.318 179.894 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 177.95 148.05 0.35 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.53 0.681 . . . . 0.0 111.167 -179.898 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 163.53 37.9 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.756 2.304 . . . . 0.0 112.337 179.904 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.4 tt -131.05 -39.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -29.3 58.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -51.5 -48.9 62.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.74 -50.63 65.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.794 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 11.0 mp -56.51 -47.52 79.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.691 HD23 ' CD2' ' A' ' 105' ' ' TYR . 0.5 OUTLIER -55.74 -63.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.896 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 36.7 p -55.59 -33.01 63.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -72.07 -26.4 62.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.788 179.991 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.48 162.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 157' ' ' LEU . 1.1 tt -111.36 58.64 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.861 179.919 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 69.33 -75.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.27 -179.97 1.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.84 -179.814 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -157.34 169.86 23.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.5 -62.67 1.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -83.0 177.84 8.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.795 179.982 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 5.1 p90 -66.54 151.48 47.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -178.55 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -27.85 69.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.774 -179.951 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.9 -26.41 5.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -179.86 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -69.44 -69.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.95 179.76 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . 0.682 HG21 HD11 ' A' ' 153' ' ' LEU . 96.7 m -48.59 -44.82 37.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.162 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.3 mm -63.03 -46.32 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -62.77 -32.06 73.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 179.924 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -55.16 10.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.945 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 20.3 pt -60.23 -36.02 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.34 -53.47 29.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.95 179.882 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -57.68 -46.27 84.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 179.813 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.75 -48.77 80.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.866 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 21.5 tp -54.74 -57.68 10.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -52.18 -54.4 31.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.918 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.45 -32.62 67.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -72.66 -32.26 65.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.48 HD23 HG13 ' A' ' 37' ' ' VAL . 1.8 mp -72.71 -52.42 15.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -44.19 97.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.831 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.483 HG13 HD11 ' A' ' 72' ' ' ILE . 7.2 p -66.28 -36.76 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.064 179.964 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 16.0 m -72.13 -29.58 64.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.612 HD23 ' CD1' ' A' ' 34' ' ' ILE . 2.7 tm? -76.04 -40.33 53.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.0 179.905 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -25.25 42.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 17.3 m -81.98 -48.58 11.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 190' ' ' THR . 14.6 t -56.56 -24.78 49.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -179.958 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -59.29 -176.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.35 16.83 9.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.853 -179.945 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 187' ' ' THR . 21.6 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 -179.934 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.754 0.312 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 57.36 86.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.868 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 p -112.85 144.5 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.064 179.979 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -117.38 140.42 49.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -122.27 168.84 11.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -149.73 -42.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.43 -179.979 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 t70 56.49 -179.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.942 0.401 . . . . 0.0 110.819 -179.965 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -121.98 172.58 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 t -72.08 -36.48 69.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -67.28 -169.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.99 20.93 5.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 t 178.86 146.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 -179.917 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.34 159.65 54.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.561 0.696 . . . . 0.0 111.149 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.68 -170.39 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.666 2.244 . . . . 0.0 112.433 179.9 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.1 -49.8 3.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.6 mtp180 50.6 75.21 0.68 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.532 0.682 . . . . 0.0 110.821 179.953 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 82.13 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 179.967 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.541 ' HB ' HG22 ' A' ' 26' ' ' THR . 21.8 t -87.77 -12.55 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.943 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 59.48 24.64 13.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.59 ' O ' HG23 ' A' ' 30' ' ' VAL . 15.2 t -109.73 172.77 6.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 179.944 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.1 p -50.84 -43.86 59.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.01 -51.76 68.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.806 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -61.9 -40.81 96.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 26' ' ' THR . 96.4 t -62.29 -54.29 36.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.049 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.719 ' O ' HG23 ' A' ' 35' ' ' THR . . . -56.09 -52.18 50.9 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.4 -43.54 95.71 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.885 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.452 HD11 ' HB ' ' A' ' 127' ' ' THR . 1.3 tt -63.82 -49.41 72.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.342 . . . . 0.0 110.985 -179.938 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.546 ' O ' HD23 ' A' ' 38' ' ' LEU . 19.4 mm -54.14 -44.29 63.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.157 179.778 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 31' ' ' GLY . 31.7 p -64.88 -43.09 94.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.241 179.912 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -58.56 -55.5 34.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.917 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.732 HG22 HD11 ' A' ' 41' ' ' ILE . 7.5 p -60.67 -36.7 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.11 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.1 mm? -59.14 -48.25 82.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.2 t90 -66.03 -41.23 91.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -62.02 -41.52 98.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.732 HD11 HG22 ' A' ' 37' ' ' VAL . 30.3 mt -66.56 -48.84 79.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 38' ' ' LEU . 89.9 t -56.89 -46.66 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.902 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -42.31 86.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -31.8 72.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.13 -51.17 18.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.946 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.428 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -69.29 -28.88 66.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.976 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -59.01 -34.82 72.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.0 mt -55.06 -30.88 60.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.0 m -98.72 30.25 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 63.25 31.53 15.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.83 43.43 91.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 179.93 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -97.05 108.8 21.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 95.4 p -58.55 -26.3 63.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.55 -32.75 72.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 179.837 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -59.7 -27.91 66.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.0 mtp -59.31 -35.39 73.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -122.93 27.48 7.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -89.09 -51.58 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.49 23.71 13.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.922 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -99.24 25.85 6.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.51 -41.71 5.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.953 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.2 -32.1 14.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.23 -31.58 32.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.742 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -53.44 -30.3 39.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.962 -179.949 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -121.5 25.98 9.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -145.5 26.93 1.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.761 HD11 ' HE3' ' A' ' 174' ' ' LYS . 0.4 OUTLIER -101.91 -61.11 1.43 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.963 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 58.63 21.9 9.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 179.832 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.642 HD12 ' CD2' ' A' ' 67' ' ' LEU . 24.6 mt -84.15 158.45 61.25 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.622 0.725 . . . . 0.0 110.932 179.92 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.65 78.68 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.657 2.238 . . . . 0.0 112.421 179.792 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -123.96 150.85 44.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.574 HG22 ' H ' ' A' ' 74' ' ' ARG . 3.4 mt -62.72 141.12 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -132.36 31.17 4.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.574 ' H ' HG22 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -172.28 -175.6 1.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.9 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -145.15 65.43 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.04 176.82 9.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.811 179.942 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -103.87 -70.13 0.81 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 -179.923 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.3 m 61.04 93.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.33 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -160.26 33.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -151.6 163.77 38.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -65.77 171.04 4.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.02 134.61 13.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.494 179.955 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -121.93 -63.78 1.27 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.951 0.405 . . . . 0.0 110.936 -179.904 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -115.0 42.96 2.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 57.16 73.4 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -74.25 167.64 21.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.946 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -138.7 132.69 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.152 179.894 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.49 140.32 50.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.1 mp -113.36 45.23 1.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.464 HD23 HD11 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -122.04 98.13 5.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.875 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -80.15 -71.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.82 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.464 HD11 HD23 ' A' ' 90' ' ' LEU . 12.2 mt 70.98 -69.04 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.413 ' O ' HD23 ' A' ' 97' ' ' LEU . 7.2 t -50.92 -46.44 60.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.04 -52.57 64.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.857 -179.809 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.04 -51.2 60.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.442 -179.937 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.764 HD12 HD11 ' A' ' 129' ' ' ILE . 2.9 mm? -54.13 -50.98 65.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.897 0.38 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.679 HD12 ' HD3' ' A' ' 147' ' ' PRO . 2.7 mm? -55.33 -49.54 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.95 179.822 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -56.84 17.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.684 ' HB3' HD13 ' A' ' 176' ' ' LEU . 24.7 m-85 -53.98 -42.91 69.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.804 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.406 ' HA ' HD21 ' A' ' 103' ' ' LEU . 43.8 t-80 -58.26 -47.87 82.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.4 p -63.35 -34.81 78.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.468 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.7 m-85 -65.94 -64.65 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' A' ' 100' ' ' HIS . 1.3 pp -52.27 -40.25 61.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -62.08 -49.02 77.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.773 ' CE1' HG22 ' A' ' 154' ' ' THR . 7.5 t80 -57.41 -45.02 85.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 -179.822 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.438 ' HG2' HD11 ' A' ' 110' ' ' LEU . 33.8 ttp -72.33 -26.21 61.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.922 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -29.81 64.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.922 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -59.6 -23.91 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -144.29 95.88 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.688 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.1 mt -149.06 177.54 9.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -72.14 -176.13 1.69 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.99 -51.23 65.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.831 179.918 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -70.62 -47.81 58.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.822 -179.882 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.688 ' CB ' HD22 ' A' ' 110' ' ' LEU . 1.3 mmmp? -55.68 -39.57 71.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -67.58 -43.64 80.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.91 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -57.69 -49.36 76.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -71.32 -40.65 70.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.63 -44.36 73.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 179.827 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.19 -49.58 73.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.47 ' HA ' ' CG ' ' A' ' 123' ' ' ARG . 70.6 t -63.36 -32.36 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.607 HD21 HG12 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -68.67 -43.81 75.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.963 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -66.13 -53.64 35.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.47 ' CG ' ' HA ' ' A' ' 120' ' ' VAL . 0.8 OUTLIER -57.35 -45.45 84.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.934 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -58.63 -51.11 71.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.678 HG22 ' CD1' ' A' ' 129' ' ' ILE . 24.4 m -57.93 -45.95 85.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -61.22 -36.64 80.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.476 ' O ' HD12 ' A' ' 131' ' ' ILE . 22.4 m -65.95 -56.18 13.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.08 -32.02 70.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.764 HD11 HD12 ' A' ' 96' ' ' LEU . 64.1 mt -72.59 -38.2 58.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.83 -41.82 78.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.863 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.476 HD12 ' O ' ' A' ' 127' ' ' THR . 6.3 mt -70.17 -44.15 78.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 -179.947 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.534 ' O ' HG23 ' A' ' 136' ' ' VAL . 3.2 m-85 -67.48 -43.98 79.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.986 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -64.99 -44.05 90.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -62.83 -51.44 67.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.03 -51.98 67.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 132' ' ' PHE . 98.0 t -63.72 -32.65 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.105 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -69.2 -35.04 75.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -74.9 -48.89 22.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.5 -58.04 4.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.965 -179.951 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -116.65 -169.82 1.7 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.897 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.09 143.87 34.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.445 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.54 144.51 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.954 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.445 ' N ' HD13 ' A' ' 142' ' ' ILE . 7.0 m -152.75 172.19 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.079 179.908 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.636 HD23 ' N ' ' A' ' 145' ' ' PRO . 6.2 tt -173.55 135.65 0.67 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.568 0.699 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.636 ' N ' HD23 ' A' ' 144' ' ' LEU . 53.1 Cg_endo -69.78 -84.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.56 2.173 . . . . 0.0 112.371 179.818 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -176.19 159.39 1.79 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.521 0.677 . . . . 0.0 111.137 -179.96 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.679 ' HD3' HD12 ' A' ' 97' ' ' LEU . 53.6 Cg_endo -69.75 148.36 64.94 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.296 179.905 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.9 tt -116.74 -23.32 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.2 m -51.83 -32.55 32.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -51.11 -47.94 61.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.29 -53.07 61.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.022 179.904 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.8 mp -51.91 -54.46 29.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.81 -63.76 1.04 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.875 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.773 HG22 ' CE1' ' A' ' 105' ' ' TYR . 51.6 p -51.34 -32.84 26.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 179.865 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.35 -35.99 68.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 179.862 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -74.69 0.17 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.52 -179.46 4.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.978 179.901 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -164.48 -43.74 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 14.0 p -137.18 -170.14 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.751 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 63.41 105.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -129.17 126.55 39.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -179.3 -48.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -142.19 170.77 15.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 71.58 -69.53 0.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -29.95 22.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.824 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.45 -26.9 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.099 -179.889 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -69.3 -68.82 0.38 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.9 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.3 m -48.34 -44.27 34.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 39.2 mm -63.49 -45.4 97.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.17 179.921 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -63.33 -30.65 71.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.845 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -71.5 -55.39 7.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.468 HD12 ' HB3' ' A' ' 102' ' ' TYR . 13.3 pt -59.11 -39.25 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.141 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.94 -48.58 65.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 179.837 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.761 ' HE3' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -57.34 -52.11 66.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.872 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.26 -44.06 97.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.783 -179.921 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.684 HD13 ' HB3' ' A' ' 99' ' ' TYR . 16.5 tp -54.38 -51.19 65.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -56.08 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -52.67 -38.93 61.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -64.74 -50.88 65.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 97.8 mt -57.12 -37.11 71.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . 0.576 ' HG3' HD11 ' A' ' 38' ' ' LEU . 11.3 mtpp -67.55 -62.27 1.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 179.741 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 13.6 p -54.19 -31.66 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.859 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 76.5 m -71.15 -47.93 54.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.132 -179.94 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.514 ' O ' HD13 ' A' ' 184' ' ' LEU . 1.2 tm? -59.25 -45.69 90.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.983 179.903 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -37.46 74.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.8 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 26.4 t -59.35 -51.47 69.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -179.739 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.0 t -65.04 -25.96 68.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 -179.865 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -79.86 -28.39 39.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.3 16.55 9.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 -179.908 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 40.7 p . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.06 -179.851 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 62.8 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.882 0.372 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -141.47 106.31 4.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.1 t -76.9 130.78 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.954 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.7 140.79 33.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.8 mtt85 -55.46 170.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.816 -179.929 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.02 22.83 0.79 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -58.02 106.69 0.39 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.967 0.413 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 64.65 150.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.867 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.5 t -130.44 -38.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -153.89 172.8 16.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -151.6 30.47 0.59 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 p 47.22 90.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 -179.903 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.84 159.64 32.86 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.537 0.684 . . . . 0.0 111.139 -179.913 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -171.04 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 179.898 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -108.04 46.49 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.08 74.35 2.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.656 0.741 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.62 129.08 17.11 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.431 179.915 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.817 HG23 HG22 ' A' ' 26' ' ' THR . 4.9 m -114.02 -14.54 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.094 179.989 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 63.81 54.18 1.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.817 HG22 HG23 ' A' ' 24' ' ' VAL . 7.5 t -121.07 165.16 15.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.97 -34.06 19.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 -179.912 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.07 -48.01 63.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.855 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.51 ' H ' HG23 ' A' ' 26' ' ' THR . 0.8 OUTLIER -58.4 -51.41 69.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.868 -179.984 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 31' ' ' GLY . 19.3 m -61.34 -44.04 97.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.435 ' N ' HG23 ' A' ' 30' ' ' VAL . . . -55.98 -52.59 48.0 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.525 179.93 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.31 -38.62 96.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.929 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.687 HD21 ' O ' ' A' ' 124' ' ' ASP . 2.4 tt -66.83 -38.87 87.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.71 0.29 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.56 ' O ' HD23 ' A' ' 38' ' ' LEU . 17.1 mm -64.52 -54.71 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.054 0.454 . . . . 0.0 111.189 179.871 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 31' ' ' GLY . 5.2 t -59.65 -40.58 88.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.969 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -64.86 -55.15 21.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.86 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -31.75 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.159 179.984 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.639 ' O ' HG23 ' A' ' 42' ' ' VAL . 2.1 mm? -67.95 -48.8 64.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -62.24 -41.35 98.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.011 179.889 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.45 ' HB3' HD11 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -63.29 -50.53 69.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.978 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.7 mt -56.29 -44.86 80.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 38' ' ' LEU . 89.8 t -60.07 -53.2 51.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.833 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -57.93 -48.72 79.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -31.64 72.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.647 ' HA ' HD13 ' A' ' 173' ' ' LEU . 15.9 ttp180 -67.1 -51.35 55.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -72.36 -28.15 62.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.32 -34.72 61.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.464 HD21 HG21 ' A' ' 169' ' ' ILE . 8.3 mp -64.07 -26.38 68.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.2 m -95.91 28.06 3.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 179.988 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 t30 61.99 28.35 17.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.93 35.92 92.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.433 179.972 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -87.41 110.49 20.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.1 -26.65 39.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.861 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -68.85 -46.18 69.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.786 179.998 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.02 -35.72 47.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.7 mtp -54.26 -31.94 54.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -130.98 32.45 4.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -80.48 -60.7 2.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.81 23.4 13.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -83.33 -27.03 30.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.33 -25.36 61.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.77 -39.35 4.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.579 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -58.55 -34.32 70.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.044 179.796 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -54.95 -29.55 56.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -122.11 29.8 6.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -143.32 26.05 1.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -89.35 137.87 31.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.974 179.983 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.47 -25.97 18.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.485 HD23 ' HE1' ' A' ' 99' ' ' TYR . 9.4 mp -64.08 160.63 46.41 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.58 0.705 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 141.38 44.79 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.633 2.222 . . . . 0.0 112.354 179.861 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -148.03 133.97 19.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.0 mt -60.9 139.23 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -123.93 167.47 14.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.35 125.92 24.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -145.63 -179.73 6.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 -179.947 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.39 -64.17 1.23 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.03 -23.78 2.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 35.2 m 55.93 87.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.816 0.341 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -131.94 -179.98 5.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -58.6 117.29 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.909 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.58 -25.25 8.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.118 -179.92 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.98 37.12 4.5 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.972 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -141.86 -48.47 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -151.45 -72.55 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 60.49 90.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 -179.909 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -178.03 134.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 72.1 mt 60.46 93.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 179.973 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -156.24 28.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.848 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.76 143.0 49.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -166.85 29.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 179.82 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -141.37 -170.21 3.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 179.846 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.6 mt 70.86 -70.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.142 179.866 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.2 m -53.28 -49.6 66.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.424 ' HA ' HD13 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -53.91 -52.62 59.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.82 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.67 -47.92 85.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 179.958 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.406 HD23 HG12 ' A' ' 129' ' ' ILE . 4.6 mp -55.03 -46.09 75.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.927 -179.94 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -62.87 -49.4 75.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.995 179.859 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.5 -50.87 72.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.808 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.544 ' HB3' HD13 ' A' ' 176' ' ' LEU . 18.2 m-85 -55.65 -51.91 65.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.844 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.483 ' HA ' HD21 ' A' ' 103' ' ' LEU . 31.1 t-80 -54.21 -44.9 72.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.791 -179.986 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -39.27 92.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.841 -179.759 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.41 ' HB3' HD12 ' A' ' 172' ' ' ILE . 20.0 m-85 -64.35 -63.86 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.935 -179.902 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.516 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.5 pp -51.79 -39.34 58.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.516 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -66.57 -39.35 88.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.796 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -67.08 -43.29 82.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.971 -179.881 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.691 ' HE2' HD11 ' A' ' 110' ' ' LEU . 8.7 ttt -74.61 -29.25 61.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.896 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -31.02 69.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -64.32 -37.0 85.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.58 93.74 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.691 HD11 ' HE2' ' A' ' 106' ' ' MET . 8.6 mt -148.99 170.67 17.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -70.82 -176.25 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.28 -51.07 69.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.36 -45.11 41.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.679 ' HB3' HD22 ' A' ' 110' ' ' LEU . 12.8 mmtm -55.94 -37.08 68.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.881 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -67.57 -49.48 63.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 179.82 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.23 -48.3 74.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.924 179.845 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.5 mmpp? -70.0 -39.92 75.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.94 -45.72 74.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.833 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.6 ttp85 -55.45 -50.08 70.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.05 -41.09 85.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.45 HD11 ' HB3' ' A' ' 40' ' ' GLU . 0.6 OUTLIER -60.61 -46.73 89.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.931 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.97 -50.82 71.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -53.58 50.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.798 -179.894 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.687 ' O ' HD21 ' A' ' 33' ' ' LEU . 34.1 m-20 -54.0 -53.08 57.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.853 179.987 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.456 HG22 ' CD1' ' A' ' 129' ' ' ILE . 8.9 m -53.43 -47.5 69.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.903 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -62.81 -29.88 71.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.503 ' O ' HD12 ' A' ' 131' ' ' ILE . 8.8 m -69.62 -56.62 6.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 -179.852 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.3 pp -60.9 -34.84 75.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.456 ' CD1' HG22 ' A' ' 125' ' ' THR . 73.7 mt -69.35 -45.16 79.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.911 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -60.7 -47.8 84.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.503 HD12 ' O ' ' A' ' 127' ' ' THR . 7.2 mt -62.64 -52.64 57.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 -179.921 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.93 -47.95 83.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.819 -179.975 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -57.64 -41.26 81.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -63.05 -49.56 74.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -57.38 -52.15 66.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.957 -179.942 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.1 p -65.69 -29.21 46.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.906 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.32 -37.79 77.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.51 -47.83 25.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.862 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.6 tt -68.91 -58.29 4.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -117.92 -168.75 1.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.877 179.861 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.9 tttm -131.89 118.53 19.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.6 tp -174.7 127.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.145 179.9 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 4.3 m -153.7 -179.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.186 179.733 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.514 ' HB3' HD13 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -142.24 141.35 21.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.763 0.792 . . . . 0.0 110.849 -179.978 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.524 ' O ' HG23 ' A' ' 146' ' ' THR . 54.1 Cg_endo -69.71 -49.15 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.637 2.225 . . . . 0.0 112.379 179.881 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -179.15 159.34 0.96 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.594 0.711 . . . . 0.0 111.126 179.979 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.519 ' HD2' HG22 ' A' ' 146' ' ' THR . 53.9 Cg_endo -69.75 -172.13 0.54 Allowed 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.727 2.285 . . . . 0.0 112.41 179.97 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.3 tt -129.27 -38.79 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.651 ' O ' HD12 ' A' ' 153' ' ' LEU . 0.7 OUTLIER -68.45 -30.25 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.886 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -50.55 -34.61 26.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -65.97 -46.57 77.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.73 -50.89 70.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.651 HD12 ' O ' ' A' ' 149' ' ' SER . 1.0 OUTLIER -57.87 -58.04 10.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 179.888 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 71.4 p -56.92 -32.84 66.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.969 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -69.42 -39.89 77.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.843 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -52.27 143.15 15.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 7.2 tp -174.24 90.71 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -137.53 164.17 29.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.83 179.881 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 51.8 p -174.43 125.83 0.32 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -173.58 -44.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -164.06 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 179.966 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.71 126.26 36.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.937 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -104.35 -41.24 5.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.17 26.79 16.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -80.58 -27.13 37.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -26.9 12.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 -179.962 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -69.34 -70.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 95.1 m -49.15 -45.45 43.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.464 HG21 HD21 ' A' ' 48' ' ' LEU . 1.7 mp -61.21 -46.52 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.919 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -62.08 -31.46 71.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -70.37 -55.26 9.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.426 HG22 HD21 ' A' ' 69' ' ' LEU . 20.0 pt -59.63 -36.05 63.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.18 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 45' ' ' ARG . 11.8 mt -67.61 -56.15 10.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 179.898 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -60.45 -47.63 85.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 179.812 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 3.0 t -59.1 -45.38 91.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.544 HD13 ' HB3' ' A' ' 99' ' ' TYR . 19.7 tp -58.41 -55.07 39.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.008 179.86 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.533 ' CD ' HG22 ' A' ' 42' ' ' VAL . 7.6 tt0 -52.98 -56.92 12.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.822 179.948 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.563 ' O ' HG23 ' A' ' 182' ' ' VAL . 4.2 mm-40 -55.0 -49.12 72.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.847 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -54.63 -44.98 73.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.68 -48.59 81.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 -179.911 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -55.17 -49.83 70.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 179.814 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 178' ' ' GLU . 39.2 t -58.52 -47.4 88.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.153 179.878 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 27.5 m -56.62 -43.64 80.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.447 ' HG ' HG21 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -62.71 -51.29 67.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.996 179.905 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -61.22 -33.62 73.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 28.4 t -67.1 -51.15 57.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.774 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 184' ' ' LEU . 10.4 t -67.07 -23.88 65.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.096 -179.916 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 -81.33 -26.14 35.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 41.38 84.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.943 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.085 -179.92 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.963 0.411 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -87.48 84.02 7.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 p -72.43 146.85 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -126.57 152.95 45.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.968 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -81.46 178.18 8.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.73 -40.32 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.551 179.974 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.42 -179.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.933 0.397 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -123.4 143.44 50.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.2 t -124.82 -36.37 2.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.108 -179.857 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.11 161.95 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -179.2 89.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.3 p -64.94 158.43 25.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.126 -179.89 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -138.59 159.63 66.74 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.662 0.744 . . . . 0.0 111.022 -179.956 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -170.07 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.714 2.276 . . . . 0.0 112.303 179.959 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -95.56 30.68 2.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -113.51 74.7 2.28 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.6 0.714 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 110.96 2.67 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 -179.998 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 24' ' ' VAL . 13.8 t -105.48 -6.61 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.215 179.875 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 63.96 26.9 14.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 -179.903 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.0 p -93.66 170.41 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 -179.925 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 p -51.46 -44.31 62.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 179.946 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -53.84 -51.62 63.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.76 -179.831 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -60.89 -37.8 83.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.854 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.9 t -65.93 -50.17 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.234 179.86 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.426 ' O ' HG23 ' A' ' 35' ' ' THR . . . -58.58 -51.77 56.89 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.926 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.98 -39.7 97.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.488 -179.918 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.65 -52.64 42.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.774 0.321 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.575 ' CD1' HD23 ' A' ' 184' ' ' LEU . 46.7 mt -56.07 -43.24 74.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.882 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 31' ' ' GLY . 32.5 p -63.69 -44.43 93.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.219 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -58.11 -55.16 38.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.779 179.895 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.704 HG22 HD11 ' A' ' 41' ' ' ILE . 7.5 p -60.72 -35.41 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 179.967 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.653 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -59.74 -48.24 82.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 179.935 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -66.87 -41.44 87.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.854 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -60.17 -43.88 95.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.704 HD11 HG22 ' A' ' 37' ' ' VAL . 30.9 mt -66.46 -49.25 76.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.259 179.865 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.659 HG22 ' OE1' ' A' ' 177' ' ' GLU . 96.4 t -55.7 -42.83 71.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 179.791 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -68.57 -44.31 74.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.486 ' SD ' HD11 ' A' ' 173' ' ' LEU . 0.9 OUTLIER -64.78 -32.05 73.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.955 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -73.78 -51.23 17.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.899 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -28.7 67.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -64.1 -39.34 93.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.618 HD21 HG21 ' A' ' 169' ' ' ILE . 1.1 mp -53.72 -28.24 32.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.4 35.91 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 t30 57.39 30.37 18.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.64 45.17 96.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 179.963 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -91.81 110.8 22.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.36 . . . . 0.0 110.924 -179.891 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.7 p -57.3 -29.8 64.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -72.84 -37.56 67.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.816 -179.968 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.8 t -56.4 -26.45 53.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 21.0 mtp -62.82 -43.7 98.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -116.48 35.13 4.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -86.57 -69.18 0.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.29 27.13 7.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 179.964 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -80.09 -26.14 39.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.36 -65.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.102 179.9 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.75 -42.97 94.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.455 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -53.22 -39.51 63.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 179.731 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -68.05 -29.31 68.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -105.78 32.14 4.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -148.6 26.09 0.94 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.523 HD11 ' HD2' ' A' ' 174' ' ' LYS . 0.2 OUTLIER -93.67 133.45 37.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 179.953 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -75.73 -22.83 56.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.863 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.8 154.66 78.22 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.577 0.703 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 148.56 65.84 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.731 2.287 . . . . 0.0 112.353 179.838 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.96 123.73 10.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 -179.941 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.3 mt -51.68 133.51 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.951 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -94.86 -177.17 4.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.57 140.05 45.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -152.0 71.45 0.97 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.26 -76.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.807 179.84 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -144.68 178.35 22.6 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.536 -179.969 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.56 26.34 8.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 110.863 -179.888 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -91.1 -27.27 18.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -51.92 165.59 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.27 -61.72 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 -179.964 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.84 -41.96 2.8 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.579 -179.955 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 57.66 73.37 0.47 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.996 0.427 . . . . 0.0 110.955 -179.803 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -156.09 -45.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.779 -179.958 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -169.52 -49.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -139.66 -61.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.5 pt -153.51 -41.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.958 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 6.1 p -178.7 110.03 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -173.32 -170.95 0.66 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.82 171.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.934 179.893 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp 63.21 34.41 13.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.869 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.499 HG23 ' CE2' ' A' ' 179' ' ' PHE . 33.8 mt -119.28 -32.33 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 179.912 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.476 ' OG ' HD11 ' A' ' 142' ' ' ILE . 64.0 p -61.52 -37.9 85.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.545 ' OG ' HD23 ' A' ' 144' ' ' LEU . 10.7 m -61.41 -52.18 65.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.836 -179.846 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.78 -51.23 60.25 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.779 HD12 HD11 ' A' ' 129' ' ' ILE . 0.9 OUTLIER -56.66 -49.84 73.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.943 0.401 . . . . 0.0 110.879 -179.907 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.554 HD13 ' HA ' ' A' ' 146' ' ' THR . 21.2 mt -54.67 -49.39 70.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -48.48 75.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -58.3 -43.62 88.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.845 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -58.92 -46.27 88.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.906 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.9 m -63.91 -39.34 93.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.44 ' HB3' HD12 ' A' ' 172' ' ' ILE . 17.8 m-85 -62.57 -63.96 1.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.86 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.512 HD12 ' N ' ' A' ' 104' ' ' GLU . 3.4 pp -53.74 -38.3 64.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.512 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.8 OUTLIER -63.91 -40.92 97.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 179.957 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.765 ' CE1' HG22 ' A' ' 154' ' ' THR . 7.6 t80 -64.92 -52.1 58.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.836 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.516 ' CE ' HD11 ' A' ' 110' ' ' LEU . 4.1 ptt? -66.2 -27.25 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 179.888 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -32.27 71.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.8 -45.37 92.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.897 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -122.04 94.3 4.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.651 HD13 ' HB3' ' A' ' 114' ' ' LYS . 5.1 mt -149.08 178.01 9.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -77.06 -176.03 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.854 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -65.18 -51.02 63.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -66.94 -51.78 51.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.651 ' HB3' HD13 ' A' ' 110' ' ' LEU . 10.0 mmpt? -54.78 -34.13 62.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.892 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -70.65 -53.08 17.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.978 179.863 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -54.24 -39.24 66.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.855 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -79.32 -33.14 43.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.949 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.49 81.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.068 179.798 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -55.59 -49.33 73.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.2 t -60.95 -41.6 89.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.473 HD21 HG12 ' A' ' 41' ' ' ILE . 1.5 mp -62.55 -48.94 77.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -57.71 -54.03 51.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.992 179.888 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -53.98 -51.0 65.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.28 -51.86 65.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.582 HG22 ' CD1' ' A' ' 129' ' ' ILE . 9.2 m -52.84 -45.93 67.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 -179.878 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -60.31 -44.02 95.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 179.949 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.5 m -62.74 -56.04 21.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.619 HD23 ' N ' ' A' ' 129' ' ' ILE . 0.2 OUTLIER -54.6 -51.98 63.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.912 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.779 HD11 HD12 ' A' ' 96' ' ' LEU . 97.0 mt -57.67 -39.6 70.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.06 179.875 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.22 -48.32 82.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 51.0 mt -67.4 -52.17 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.173 179.938 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.65 ' O ' HG23 ' A' ' 136' ' ' VAL . 4.4 m-85 -56.57 -44.75 81.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -62.81 -48.77 77.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -49.07 69.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -60.72 -52.09 66.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 132' ' ' PHE . 90.3 t -55.67 -55.03 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.148 179.941 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -54.16 -42.34 69.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.807 179.978 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -68.45 -29.35 67.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.862 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.4 tp -77.18 -58.0 3.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.962 -179.966 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -127.35 -75.48 0.58 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.839 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -179.82 -176.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 179.891 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.476 HD11 ' OG ' ' A' ' 93' ' ' SER . 6.2 tp -161.77 144.01 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 179.844 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.459 ' H ' HD12 ' A' ' 142' ' ' ILE . 20.5 m -131.37 -174.16 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.944 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.545 HD23 ' OG ' ' A' ' 94' ' ' SER . 1.7 tp 60.53 107.17 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.69 0.757 . . . . 0.0 110.94 179.923 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.467 ' HD2' HD12 ' A' ' 144' ' ' LEU . 54.6 Cg_endo -69.65 -49.25 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.738 2.292 . . . . 0.0 112.295 179.89 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.554 ' HA ' HD13 ' A' ' 97' ' ' LEU . 0.1 OUTLIER 178.52 147.38 0.37 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.515 0.674 . . . . 0.0 111.191 -179.857 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 175.1 8.5 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.668 2.246 . . . . 0.0 112.35 179.873 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 148' ' ' ILE . 1.0 OUTLIER -120.42 31.27 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.259 179.797 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.2 p -69.24 -28.03 65.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . 0.463 ' O ' HG23 ' A' ' 154' ' ' THR . 5.1 t-20 -50.84 -46.63 60.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -57.99 -49.87 75.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.01 179.888 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 18.2 mt -54.32 -55.92 23.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.908 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.512 ' CD1' HG21 ' A' ' 168' ' ' THR . 3.9 mm? -52.7 -61.99 1.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.845 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.765 HG22 ' CE1' ' A' ' 105' ' ' TYR . 64.0 p -50.8 -32.96 21.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.96 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.73 -37.8 76.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 179.936 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -80.06 163.31 24.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 3.6 tp -161.65 -54.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.883 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.48 176.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.56 145.62 52.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.79 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -75.66 -174.44 2.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.038 179.896 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.1 mttt 59.3 177.32 0.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.808 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 57.63 -173.77 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 43.5 p90 -107.76 142.03 38.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.93 -51.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.883 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -58.99 -26.44 64.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.91 -25.26 19.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 -179.938 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -69.34 -70.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.86 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . 0.512 HG21 ' CD1' ' A' ' 153' ' ' LEU . 11.6 m -50.31 -45.18 54.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.618 HG21 HD21 ' A' ' 48' ' ' LEU . 1.5 mp -60.02 -48.71 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 179.866 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.69 -32.22 71.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 179.878 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -54.37 18.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.44 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.3 pt -62.95 -38.76 82.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.486 HD11 ' SD ' ' A' ' 44' ' ' MET . 3.5 mm? -68.88 -59.27 3.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.956 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.523 ' HD2' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -56.19 -31.79 63.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.91 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 32.8 t -70.15 -52.03 26.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 15.0 tp -57.27 -45.25 84.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.659 ' OE1' HG22 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -61.52 -51.73 67.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.908 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.558 ' O ' HG22 ' A' ' 182' ' ' VAL . 13.2 mm-40 -58.41 -37.34 75.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.931 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.499 ' CE2' HG23 ' A' ' 92' ' ' ILE . 32.3 t80 -73.7 -29.43 62.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.461 HD12 ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -74.31 -49.29 23.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.959 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -61.66 -45.36 94.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.774 179.897 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 178' ' ' GLU . 33.4 m -66.93 -39.38 83.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.106 179.965 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.415 ' N ' HG23 ' A' ' 182' ' ' VAL . 12.0 m -66.4 -35.44 80.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 179.987 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.575 HD23 ' CD1' ' A' ' 34' ' ' ILE . 2.6 tm? -71.98 -48.52 44.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -68.41 -27.93 66.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 -179.971 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 30.0 t -75.31 -52.04 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.847 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 13.8 t -63.87 -24.93 67.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -72.06 175.95 5.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -114.95 -20.08 10.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 48.6 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.194 -179.936 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.83 0.348 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 62.45 103.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.001 -179.845 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 86.9 t -137.48 143.48 34.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -144.25 145.33 31.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.9 mtm180 -99.6 -179.86 4.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.789 -179.862 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 129.38 -28.61 4.0 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.562 -179.897 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 40.85 55.23 3.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.761 0.315 . . . . 0.0 110.786 -179.97 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.4 t80 63.3 160.71 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.8 t -74.38 -35.59 63.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.065 -179.876 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -120.65 -170.5 2.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.747 -179.862 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -154.24 51.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 t 179.25 148.39 0.23 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 -179.862 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -138.28 159.67 67.08 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 121.625 0.726 . . . . 0.0 111.051 -179.911 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -170.87 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.728 2.285 . . . . 0.0 112.321 179.916 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -95.97 27.62 3.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 179.996 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 mtm-85 -137.46 73.9 48.27 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.542 0.687 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 122.94 9.6 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.633 2.222 . . . . 0.0 112.319 -179.992 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.402 HG13 HG23 ' A' ' 26' ' ' THR . 8.9 p -82.78 -21.06 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.898 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 63.36 47.95 3.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.402 HG23 HG13 ' A' ' 24' ' ' VAL . 9.3 p -98.34 163.35 12.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.105 -179.969 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.91 -47.11 64.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.081 -179.915 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.7 m -51.56 -51.45 55.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -60.04 -38.75 83.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.0 -179.925 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.3 t -62.39 -54.4 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.961 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.711 ' O ' HG23 ' A' ' 35' ' ' THR . . . -57.12 -52.4 51.61 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.496 179.997 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.23 -40.81 94.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.451 -179.899 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.818 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.1 OUTLIER -64.57 -48.86 73.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.741 0.305 . . . . 0.0 110.906 -179.812 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.674 HG21 ' HG ' ' A' ' 184' ' ' LEU . 21.6 mm -56.17 -42.33 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.206 179.779 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.711 HG23 ' O ' ' A' ' 31' ' ' GLY . 29.9 p -65.59 -44.43 86.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.246 179.842 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -58.61 -55.14 38.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.869 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.716 HG22 HD11 ' A' ' 41' ' ' ILE . 8.9 p -59.49 -36.2 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.687 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -59.93 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.967 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 58.2 t90 -64.99 -43.3 93.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -45.08 94.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.716 HD11 HG22 ' A' ' 37' ' ' VAL . 36.4 mt -63.17 -44.46 99.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.695 HG22 ' OE1' ' A' ' 177' ' ' GLU . 99.1 t -59.31 -46.14 92.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 179.872 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -67.68 -43.98 78.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -31.92 73.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 179.895 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -72.74 -51.21 20.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.16 -28.68 66.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 -179.916 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -53.89 -37.51 63.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.0 mt -55.16 -33.95 63.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.6 m -96.47 40.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 54.95 30.23 13.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.86 41.04 95.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.51 179.946 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -95.01 110.22 22.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 110.831 -179.841 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.3 p -55.18 -28.94 56.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.82 -179.871 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -61.55 -39.34 90.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.7 t -55.1 -29.4 57.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 7.8 mtt -65.92 -48.98 69.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -102.66 35.52 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -88.74 -60.38 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.927 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -121.15 37.96 4.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -103.89 31.07 4.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.786 -179.945 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.93 -25.45 8.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.95 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.87 -34.5 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.97 -41.0 74.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.759 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -53.82 -29.03 38.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -115.31 35.31 4.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -156.18 28.84 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.38 134.48 38.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -25.31 65.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mt -79.02 154.78 77.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 0.0 110.936 179.869 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 156.39 63.36 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.8 2.333 . . . . 0.0 112.345 179.811 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -146.91 143.7 28.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 mp -79.47 142.87 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -115.68 156.12 26.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -77.33 121.65 24.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -126.68 -174.99 3.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.96 179.98 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -127.26 -53.22 1.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.03 176.05 22.8 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.529 -179.96 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 25.3 p -157.77 34.26 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -148.92 -60.21 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.49 176.83 12.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 t -61.35 157.26 17.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.998 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.93 -109.31 2.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.893 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -159.6 141.16 12.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.878 0.37 . . . . 0.0 110.904 -179.748 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -110.03 -179.97 3.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -150.37 165.34 33.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 61.28 -177.9 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 -179.854 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.46 178.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 5.4 t -152.94 26.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 179.958 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.47 99.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.6 mt -131.07 28.01 4.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 53.61 86.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.808 179.732 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 78.3 mt -113.76 -24.04 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 179.885 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.6 p -66.94 -42.44 85.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -52.63 59.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.82 -179.784 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.3 -51.09 60.94 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 -179.996 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mp -52.78 -53.04 53.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.941 0.401 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.655 HD13 ' HD3' ' A' ' 145' ' ' PRO . 0.2 OUTLIER -55.31 -49.16 72.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.962 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -52.72 -47.8 67.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -59.84 -46.62 88.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.885 -179.841 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -54.62 -46.65 73.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.7 t -65.38 -39.47 92.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.943 -179.834 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.731 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.6 m-85 -59.72 -64.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.929 -179.862 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 104' ' ' GLU . 3.2 pp -53.74 -43.22 68.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.547 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.1 mm-40 -56.2 -43.55 78.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -65.4 -41.1 94.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.54 ' HE3' HD21 ' A' ' 110' ' ' LEU . 2.6 ttt -66.6 -35.8 81.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.585 ' HZ2' ' HB1' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -51.94 -43.9 63.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.997 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -59.03 -19.94 48.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -136.16 85.8 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.817 HD22 ' HB3' ' A' ' 114' ' ' LYS . 11.3 mt -149.5 155.74 40.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.018 179.909 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -68.26 -176.03 0.69 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -64.07 -51.15 65.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.841 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -70.42 -46.37 64.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.817 ' HB3' HD22 ' A' ' 110' ' ' LEU . 1.1 mmmp? -55.9 -46.7 78.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -58.41 -48.52 80.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.83 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.63 -50.36 65.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -68.12 -36.92 80.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.585 ' HB1' ' HZ2' ' A' ' 107' ' ' LYS . . . -54.96 -48.16 73.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.851 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -52.9 -49.16 66.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 86.6 t -61.24 -38.52 79.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -50.68 61.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -61.74 -30.03 70.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.993 179.899 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -70.28 -52.05 25.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -61.27 -39.18 89.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.45 ' HA ' HD23 ' A' ' 128' ' ' LEU . 7.9 m -65.4 -49.54 68.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.875 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -60.1 -36.57 77.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 18.7 m -67.01 -55.95 12.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 -179.856 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.818 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -58.42 -33.25 69.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.995 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 41.9 mt -70.54 -43.18 78.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.891 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -64.14 -40.95 97.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 89.3 mt -66.62 -51.86 52.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -63.65 -50.19 70.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -57.38 -41.93 81.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -63.54 -47.15 82.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.55 -52.23 65.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 33.8 m -67.27 -33.54 63.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 11.9 tttp -70.0 -27.24 64.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.86 -45.58 14.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 179.813 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.18 21.27 10.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.982 179.968 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 178.59 -169.33 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.833 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.21 -171.42 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.475 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.66 145.99 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.857 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.475 ' N ' HD13 ' A' ' 142' ' ' ILE . 24.4 m -138.38 -177.23 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.192 179.772 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.55 140.8 25.69 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.53 0.681 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.655 ' HD3' HD13 ' A' ' 97' ' ' LEU . 53.3 Cg_endo -69.83 -48.35 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 179.844 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.4 m 65.46 66.86 0.81 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.602 0.715 . . . . 0.0 111.205 -179.923 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.93 169.02 20.12 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.754 2.302 . . . . 0.0 112.303 -179.986 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.8 tt -118.31 -15.13 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.184 179.965 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.54 ' O ' HD12 ' A' ' 153' ' ' LEU . 0.2 OUTLIER -51.93 -29.4 20.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.888 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 154' ' ' THR . 54.0 t30 -50.91 -41.4 58.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.88 94.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.161 179.861 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.86 -57.44 9.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 149' ' ' SER . 1.0 OUTLIER -55.5 -53.17 59.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.922 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 150' ' ' ASN . 72.9 p -58.54 -36.29 73.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 -179.996 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.04 -32.03 73.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.4 179.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.37 179.74 6.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -111.93 108.12 17.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.2 m -137.27 -173.39 3.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.82 -179.76 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -107.78 -64.64 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -93.88 172.31 8.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.85 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -105.5 66.91 0.75 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -116.98 -28.28 6.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 78.7 mt -68.08 -32.58 73.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -64.84 -43.12 94.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.807 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.14 -26.87 12.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 -179.881 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -69.83 -69.69 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 98.1 m -48.77 -44.39 38.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.87 -46.32 96.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 179.848 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -61.24 -33.42 73.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -55.3 9.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.731 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.3 pt -61.12 -36.24 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.208 -179.985 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 18.6 mt -67.31 -52.32 41.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -58.03 -41.42 83.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 179.885 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 3.1 p -64.22 -47.5 79.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.0 tp -56.53 -53.49 56.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.695 ' OE1' HG22 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -57.24 -56.07 26.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 179.942 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -56.85 -30.03 63.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.484 ' HA ' HG12 ' A' ' 182' ' ' VAL . 40.4 t80 -76.1 -32.51 59.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.816 -179.867 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.414 HD12 ' CD1' ' A' ' 41' ' ' ILE . 44.3 mt -72.33 -45.68 58.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -43.0 71.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.87 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 179' ' ' PHE . 5.4 p -66.67 -33.24 62.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.136 179.846 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.518 ' O ' HG22 ' A' ' 187' ' ' THR . 18.6 m -75.54 -42.58 52.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.198 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.674 ' HG ' HG21 ' A' ' 34' ' ' ILE . 2.1 tm? -64.1 -40.99 97.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 179.953 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -74.38 -47.47 33.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 32.1 t -54.83 -52.21 63.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.864 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 183' ' ' THR . 13.9 t -66.32 -21.55 66.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.155 -179.966 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -85.23 179.43 7.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.75 16.61 21.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 -179.951 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.909 0.385 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -122.03 103.35 8.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 63.6 t -147.92 124.23 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 -179.932 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -135.93 68.67 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 54.39 -176.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.91 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.74 27.42 12.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.486 -179.889 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.2 147.14 34.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.371 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -130.06 176.61 7.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 t -123.81 -39.04 2.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 -179.921 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 44.05 -163.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.29 92.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.805 179.944 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 t -63.11 157.33 22.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.174 -179.914 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.51 159.64 70.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 111.215 179.93 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -170.17 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.68 2.253 . . . . 0.0 112.397 179.904 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -94.01 39.92 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -113.74 74.19 2.38 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.636 0.731 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.88 86.69 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.784 2.323 . . . . 0.0 112.256 -179.88 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.9 t -78.88 -11.45 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.075 179.919 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 63.76 29.83 14.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.82 -179.917 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -97.26 176.9 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 -179.981 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.05 -30.59 66.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 -179.876 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.7 m -68.95 -45.75 69.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -59.9 -51.32 70.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 31' ' ' GLY . 19.1 m -61.59 -42.73 95.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.418 ' N ' HG23 ' A' ' 30' ' ' VAL . . . -57.82 -52.28 53.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.44 179.986 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.42 -37.97 95.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.47 -179.938 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.696 HD21 ' O ' ' A' ' 124' ' ' ASP . 3.2 tt -66.41 -40.44 89.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.824 0.345 . . . . 0.0 110.855 -179.865 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.543 ' O ' HD23 ' A' ' 38' ' ' LEU . 12.0 mm -64.84 -49.63 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.863 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.9 p -61.56 -44.81 96.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -62.53 -54.99 31.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -31.83 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.669 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.9 OUTLIER -66.99 -48.83 67.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.994 179.899 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -62.52 -41.38 98.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.85 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.417 ' HB3' HD11 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -62.94 -50.45 70.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.997 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.9 mt -57.25 -44.74 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 38' ' ' LEU . 99.0 t -59.54 -57.06 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.023 179.911 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -57.9 -45.37 86.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.9 ttt -63.17 -31.85 73.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -69.67 -51.21 36.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -70.52 -28.49 64.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.997 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -53.86 -34.85 60.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.908 HD23 HG22 ' A' ' 166' ' ' THR . 9.9 mp -55.3 -33.4 63.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.9 m -96.42 34.57 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.878 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 t30 62.24 26.83 16.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.06 39.09 96.1 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.538 -179.991 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -93.22 112.22 24.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.763 0.316 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.9 p -55.29 -26.85 42.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 -179.794 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.02 -47.08 81.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -27.59 38.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 30.9 mtp -65.22 -34.82 79.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.851 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -121.3 28.5 7.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -98.0 -56.17 2.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.781 -179.953 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -96.29 26.28 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.839 179.979 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -96.19 26.42 4.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.804 -179.933 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.29 -29.47 7.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.884 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.57 -38.96 3.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.464 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -61.56 -37.42 83.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 179.857 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -67.52 -29.06 68.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -105.22 27.1 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -139.16 26.63 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -104.59 133.19 49.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 -179.977 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.75 25.74 10.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.874 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.409 HD22 ' CB ' ' A' ' 175' ' ' SER . 10.5 mp -84.11 160.61 57.22 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.574 0.702 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 119.2 6.18 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.741 2.294 . . . . 0.0 112.299 179.909 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.92 160.36 32.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 60.5 mt -85.9 146.34 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 179.93 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -96.81 66.01 2.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.878 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.18 -75.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 54.17 90.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -133.33 65.23 1.59 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.794 179.932 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.79 152.9 0.15 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.449 -179.961 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 75.5 m -123.77 42.46 3.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 110.839 -179.932 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.2 t80 63.22 172.41 0.16 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 -179.984 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 58.49 94.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.4 p -121.38 111.52 17.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 -179.97 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 177.39 56.38 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.446 179.922 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 62.09 166.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.4 t30 57.59 48.25 14.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.61 107.26 8.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -136.46 53.19 1.93 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.487 ' H ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -117.97 175.34 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.096 179.983 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 26.7 m 58.87 80.9 0.17 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.886 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.3 mp -104.5 174.12 6.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.15 178.12 10.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -94.89 99.68 11.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 43.6 mt -115.55 -29.14 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.883 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.583 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -65.94 -50.08 65.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.874 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 t -59.0 -51.98 67.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.93 -51.0 59.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.607 179.946 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.66 HD13 HG12 ' A' ' 129' ' ' ILE . 30.9 mt -54.59 -53.6 52.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.903 0.383 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 93' ' ' SER . 0.3 OUTLIER -53.06 -49.11 67.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.948 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.4 -51.67 64.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.899 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.411 ' HB3' HD13 ' A' ' 176' ' ' LEU . 34.0 m-85 -54.69 -49.03 71.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.986 -179.884 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -54.33 -49.72 69.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.918 179.86 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.1 m -61.22 -36.32 79.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.75 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.507 ' HD1' HD11 ' A' ' 153' ' ' LEU . 17.8 m-85 -63.43 -64.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.835 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.5 pp -55.22 -35.13 64.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.006 179.91 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.462 ' N ' HD12 ' A' ' 103' ' ' LEU . 2.3 mm-40 -66.15 -41.61 90.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.867 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.681 ' CD2' HD13 ' A' ' 153' ' ' LEU . 35.5 t80 -65.79 -52.14 53.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.858 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 13.1 ptm -63.77 -32.38 73.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -67.45 -25.99 66.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -59.86 -39.21 84.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.959 179.903 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -125.94 96.57 4.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.808 -179.962 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.628 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.9 mt -145.48 173.68 11.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -73.35 -175.89 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.4 -51.18 68.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.8 179.863 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -72.08 -48.01 47.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.628 ' CB ' HD22 ' A' ' 110' ' ' LEU . 1.2 mmmp? -55.92 -33.93 65.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -67.37 -46.08 74.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.939 179.818 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.49 -46.01 91.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 179.881 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -68.78 -47.4 66.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.96 -43.34 73.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 179.917 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -49.65 72.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.2 t -61.69 -43.31 96.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.417 HD11 ' HB3' ' A' ' 40' ' ' GLU . 3.2 mp -55.98 -50.19 71.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.1 tm0? -61.24 -48.16 82.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -55.56 -53.27 58.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.696 ' O ' HD21 ' A' ' 33' ' ' LEU . 3.1 m-20 -55.01 -55.21 33.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.3 m -56.25 -44.32 79.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.209 -179.958 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -53.36 53.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.551 HG22 HD11 ' A' ' 131' ' ' ILE . 97.5 m -61.7 -37.29 83.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.065 -179.816 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.555 HD23 HD22 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -63.09 -52.06 64.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.992 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.66 HG12 HD13 ' A' ' 96' ' ' LEU . 27.9 mt -61.06 -38.08 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.819 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -46.23 88.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.859 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.551 HD11 HG22 ' A' ' 127' ' ' THR . 20.0 mt -63.41 -53.01 50.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.544 ' O ' HG23 ' A' ' 136' ' ' VAL . 2.4 m-85 -59.84 -50.02 75.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -61.7 -37.83 85.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.56 -53.4 56.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -60.87 -51.82 67.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 132' ' ' PHE . 94.7 t -57.89 -40.08 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.042 -179.986 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.502 ' HD3' HG13 ' A' ' 143' ' ' VAL . 2.2 mmmt -67.01 -39.72 87.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.893 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -48.02 79.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.886 179.869 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.9 tt -74.47 -24.7 59.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.86 104.79 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.818 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -51.62 128.62 23.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.2 tp -167.48 132.54 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.502 HG13 ' HD3' ' A' ' 137' ' ' LYS . 5.7 m -153.04 159.54 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.866 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.53 85.99 0.3 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.567 0.699 . . . . 0.0 110.962 179.957 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.548 ' HA ' HD13 ' A' ' 97' ' ' LEU . 52.6 Cg_endo -69.86 -85.96 0.0 OUTLIER 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 179.901 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 26.7 m 61.64 68.11 1.22 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.547 0.689 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 102.53 1.04 Allowed 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.677 2.251 . . . . 0.0 112.378 179.942 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 1.1 tt -118.17 -28.9 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.988 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.4 p -52.15 -47.09 65.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . 0.484 ' O ' HG23 ' A' ' 154' ' ' THR . 7.8 t30 -56.34 -49.08 75.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.91 -49.57 70.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.934 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.6 mp -56.92 -59.94 4.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.681 HD13 ' CD2' ' A' ' 105' ' ' TYR . 15.5 mt -53.32 -55.34 25.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.817 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 150' ' ' ASN . 72.6 p -54.31 -33.08 58.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -32.98 73.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -76.46 -43.0 41.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 179.925 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.7 tt -52.98 120.58 6.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.91 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -177.16 154.29 1.04 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 59.97 -175.19 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.802 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -55.5 -72.73 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.78 148.82 3.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.985 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -176.42 179.72 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER 60.71 175.26 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.22 107.75 18.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -71.33 -32.31 68.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . 0.908 HG22 HD23 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -53.09 -26.07 15.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.174 -179.895 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -69.75 -70.08 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.4 m -49.42 -45.21 46.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.68 -49.95 82.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.892 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -61.3 -29.59 69.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -55.49 9.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.811 -179.848 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 102' ' ' TYR . 21.3 pt -60.39 -35.67 64.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.149 179.999 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.08 -51.62 52.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.956 179.879 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -57.01 -48.01 79.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.811 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.409 ' CB ' HD22 ' A' ' 69' ' ' LEU . 2.7 p -61.03 -46.63 89.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.411 HD13 ' HB3' ' A' ' 99' ' ' TYR . 9.9 tp -55.56 -48.12 75.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -54.5 45.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 182' ' ' VAL . 24.7 mt-10 -54.61 -50.24 68.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.49 -34.65 74.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 4.3 mt -63.86 -61.73 2.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -44.43 68.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.83 179.807 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 178' ' ' GLU . 77.0 t -60.97 -41.52 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.15 179.914 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.487 ' O ' HG22 ' A' ' 187' ' ' THR . 74.3 m -63.24 -44.49 95.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -179.947 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.515 ' O ' HD13 ' A' ' 184' ' ' LEU . 0.7 OUTLIER -63.39 -43.82 96.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.976 179.982 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -70.24 -33.67 71.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.856 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 29.3 t -72.37 -52.14 17.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.763 -179.737 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 183' ' ' THR . 14.6 t -65.34 -16.94 64.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.935 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -83.96 117.64 23.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -111.05 -19.99 12.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.162 -179.934 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.527 0.06 0 CA-C-O 120.904 0.383 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 62.67 84.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 p -75.57 143.86 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 -179.995 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.61 128.62 36.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.21 167.18 10.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.816 -179.915 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.07 53.49 0.1 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 -179.917 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -75.7 123.33 25.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -129.67 176.18 8.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.918 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.6 t -126.07 -37.85 2.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 -179.958 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -137.48 175.72 9.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -172.0 32.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.835 -179.995 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 64.3 p -71.73 128.54 36.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.212 -179.956 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.25 159.72 69.75 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.539 0.685 . . . . 0.0 111.182 179.987 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 -170.98 0.42 Allowed 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -96.59 32.74 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.958 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.2 mtt-85 -115.33 73.68 3.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.709 0.766 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 122.8 9.47 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.658 2.239 . . . . 0.0 112.404 179.984 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.524 HG23 ' H ' ' A' ' 26' ' ' THR . 17.0 m -89.16 -21.96 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.929 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 61.93 33.31 17.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.524 ' H ' HG23 ' A' ' 24' ' ' VAL . 45.6 p -96.61 165.97 11.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.246 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.22 -33.78 42.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 m -69.05 -44.65 72.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -51.06 70.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 31' ' ' GLY . 18.5 m -60.67 -42.14 90.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 -179.952 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.714 ' O ' HG23 ' A' ' 35' ' ' THR . . . -59.24 -53.39 46.7 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.519 179.985 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.09 -44.75 97.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.909 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.78 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.1 OUTLIER -62.84 -44.46 96.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 0.0 110.957 -179.968 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.673 HG21 ' HG ' ' A' ' 184' ' ' LEU . 9.9 mm -57.58 -42.52 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 31' ' ' GLY . 26.8 p -66.5 -43.25 85.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.959 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -55.48 34.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.42 HG22 ' CD1' ' A' ' 41' ' ' ILE . 7.7 p -59.07 -39.94 79.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.742 HD22 HD13 ' A' ' 180' ' ' LEU . 0.3 OUTLIER -54.99 -49.06 72.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.996 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -66.9 -38.84 86.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.471 ' HB3' HD11 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -61.69 -43.59 98.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 179.947 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.42 ' CD1' HG22 ' A' ' 37' ' ' VAL . 65.3 mt -65.42 -49.13 80.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.07 -179.973 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 38' ' ' LEU . 74.2 t -55.02 -58.7 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.892 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -46.84 78.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.455 ' HE1' ' HB2' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -59.97 -31.6 70.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.992 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.401 ' HA ' HD13 ' A' ' 173' ' ' LEU . 8.1 ttp85 -71.85 -51.34 22.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -67.98 -28.92 67.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -55.13 -35.36 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.25 -29.74 70.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -96.11 32.87 1.83 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 179.908 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.82 32.38 15.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.86 44.11 98.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.441 179.869 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -100.25 113.26 25.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.824 0.345 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 85.5 p -63.04 -39.49 94.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -26.61 67.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.0 t -65.97 -26.69 67.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.1 mmm -72.85 -41.64 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -96.84 31.39 2.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -92.93 -61.64 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -99.66 30.03 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.803 179.99 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -97.72 30.5 2.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.63 -30.14 5.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.057 179.962 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.6 -38.83 3.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.78 -34.56 65.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.831 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.13 -28.71 58.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -122.63 38.97 4.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -154.05 28.68 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.951 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.5 139.6 34.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -25.46 45.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.52 154.69 78.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.687 0.756 . . . . 0.0 110.926 179.894 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 145.35 56.94 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.684 2.256 . . . . 0.0 112.411 179.826 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -148.02 118.89 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.412 ' HB ' HG11 ' A' ' 182' ' ' VAL . 4.6 mt -51.66 142.27 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.988 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.49 -37.86 6.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.23 179.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.855 -179.843 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -141.92 173.66 11.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -126.79 -60.45 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.801 179.908 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 142.13 -70.75 0.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.523 -179.856 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 34.1 m 55.59 74.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -155.87 28.92 0.37 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -101.54 172.55 6.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.29 173.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -179.899 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -132.34 25.81 3.79 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.437 179.923 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -127.02 -44.98 1.59 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.774 0.321 . . . . 0.0 110.869 -179.746 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -161.24 122.04 2.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.82 -179.958 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -109.52 27.89 9.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 53.07 -170.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -117.47 115.48 48.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.216 179.875 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.608 ' C ' HD13 ' A' ' 89' ' ' LEU . 73.3 m -127.03 104.68 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.687 ' N ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -149.85 165.32 32.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 179.923 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.488 HD22 ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -136.48 166.62 23.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.86 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -77.2 92.76 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.837 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.5 mt -103.47 -24.43 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 179.891 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.749 ' HB2' HD11 ' A' ' 142' ' ' ILE . 0.6 OUTLIER -64.59 -50.03 68.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.894 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.4 t -56.49 -51.9 66.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.723 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.43 -52.04 54.14 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.443 179.993 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.421 HD23 HG12 ' A' ' 129' ' ' ILE . 1.3 mp -61.24 -38.67 87.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.84 0.353 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.856 HD13 HD21 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -63.33 -48.91 76.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.976 179.839 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.516 ' N ' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -59.93 -52.38 65.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.914 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.649 ' HB3' HD13 ' A' ' 176' ' ' LEU . 21.7 m-85 -54.81 -46.57 74.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.003 -179.962 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -57.67 -49.66 75.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.812 179.941 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.8 m -61.89 -31.94 72.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.8 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.782 ' HB3' HD12 ' A' ' 172' ' ' ILE . 13.0 m-85 -67.95 -64.29 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.579 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.4 pp -52.79 -39.79 62.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.579 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -66.23 -43.59 86.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.971 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.749 ' CD2' HD13 ' A' ' 153' ' ' LEU . 45.8 t80 -59.61 -44.94 93.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.985 -179.909 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 18.9 ttp -75.0 -28.04 60.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.841 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -66.19 -31.24 71.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -59.84 -33.88 72.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -129.62 98.21 4.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 -179.961 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.613 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.6 mt -149.06 173.99 12.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -66.42 -176.17 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.834 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -62.94 -51.16 67.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.904 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.61 -44.75 41.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.613 ' CB ' HD22 ' A' ' 110' ' ' LEU . 20.6 mmtm -55.8 -37.21 68.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.9 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -67.31 -43.8 80.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.26 -48.51 81.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.788 179.935 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.451 ' O ' HD12 ' A' ' 121' ' ' LEU . 11.8 mmtt -69.7 -44.11 71.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.455 ' HB2' ' HE1' ' A' ' 44' ' ' MET . . . -54.77 -44.12 73.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.089 179.839 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -55.88 -49.84 72.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.477 ' O ' ' HG3' ' A' ' 123' ' ' ARG . 46.2 t -63.38 -32.8 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.902 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.471 HD11 ' HB3' ' A' ' 40' ' ' GLU . 0.3 OUTLIER -70.09 -36.5 74.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.979 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -71.39 -54.07 11.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -53.75 -44.84 70.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.892 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.474 ' N ' ' HE ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -64.31 -44.58 91.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.96 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.616 HG22 HD12 ' A' ' 129' ' ' ILE . 69.2 m -56.75 -45.0 82.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.906 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.2 -41.87 94.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.4 m -61.86 -56.01 23.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -179.894 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.78 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -60.88 -34.82 75.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.952 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.616 HD12 HG22 ' A' ' 125' ' ' THR . 23.2 mt -69.76 -33.68 57.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.869 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -72.15 -41.92 66.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 8.9 mt -67.2 -46.95 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.453 ' O ' HG23 ' A' ' 136' ' ' VAL . 2.0 m-85 -65.57 -49.97 66.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -60.24 -40.35 89.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -63.19 -53.54 51.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.21 -49.01 73.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 132' ' ' PHE . 97.7 t -64.03 -42.9 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -45.16 79.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -74.88 -30.61 61.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.832 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.07 -49.08 66.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -134.53 -75.64 0.46 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.785 179.925 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.59 176.54 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.749 HD11 ' HB2' ' A' ' 93' ' ' SER . 7.7 tp -176.41 144.95 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.167 179.914 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.9 m -123.22 152.41 28.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 179.749 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.856 HD21 HD13 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -174.28 87.91 0.34 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.632 0.73 . . . . 0.0 110.952 179.96 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.527 ' O ' HG23 ' A' ' 146' ' ' THR . 54.2 Cg_endo -69.7 -48.63 0.69 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 179.881 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -178.87 159.13 1.01 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.619 0.723 . . . . 0.0 111.116 -179.901 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.516 ' HD2' HG22 ' A' ' 146' ' ' THR . 53.3 Cg_endo -69.72 164.4 34.65 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.619 2.213 . . . . 0.0 112.327 179.967 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 9.5 tt -130.28 -38.91 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.9 m -51.36 -41.87 60.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 154' ' ' THR . 0.9 OUTLIER -51.7 -47.5 63.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.96 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -63.15 -36.3 83.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.86 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 40.7 mt -62.5 -60.16 3.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.749 HD13 ' CD2' ' A' ' 105' ' ' TYR . 12.8 mt -56.37 -50.64 70.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 150' ' ' ASN . 71.2 p -59.4 -33.61 71.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.989 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.53 -28.76 69.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -108.61 100.62 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 11.7 tp -141.45 143.86 34.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.957 179.884 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -139.68 -74.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.9 t -176.27 -74.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -149.64 -71.83 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 59.28 178.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -55.13 174.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -72.44 83.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 2.6 pp -111.09 -34.97 6.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 179.948 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 10.6 ptt-85 -62.06 -26.77 68.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.74 -26.64 5.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 -179.95 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.45 -69.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.859 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.0 m -48.38 -42.33 31.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.9 mm -65.99 -43.72 92.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -63.09 -34.99 78.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.923 179.918 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -55.01 10.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.86 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.782 HD12 ' HB3' ' A' ' 102' ' ' TYR . 20.1 pt -60.36 -35.61 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 173' ' ' LEU . 18.1 mt -67.69 -53.48 27.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -58.55 -46.47 86.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.758 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 6.0 t -62.69 -42.21 99.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.649 HD13 ' HB3' ' A' ' 99' ' ' TYR . 7.0 tp -59.1 -55.79 30.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.939 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.54 -51.72 67.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -54.39 -50.14 68.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -63.73 -34.88 78.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.742 HD13 HD22 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -63.56 -67.25 0.44 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.891 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . 0.549 ' HD2' HG23 ' A' ' 182' ' ' VAL . 0.0 OUTLIER -52.01 -43.67 63.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.777 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.549 HG23 ' HD2' ' A' ' 181' ' ' LYS . 19.0 t -59.66 -41.8 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 179.834 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 55.2 m -64.68 -50.82 65.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.052 -179.946 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.673 ' HG ' HG21 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -55.06 -52.37 63.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.994 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -64.98 -33.36 75.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.88 -51.48 64.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.753 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.7 t -66.72 -24.4 66.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.917 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -79.58 155.33 28.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.818 -179.948 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -59.64 -20.88 59.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.046 179.937 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.182 -179.889 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.808 0.337 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -133.15 101.18 5.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 p -108.02 149.97 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -106.33 98.84 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -68.45 166.56 16.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.59 -40.2 0.11 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.516 179.979 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.54 -179.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -113.41 166.83 11.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.7 t -125.36 -37.05 2.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -133.05 -174.91 3.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -168.34 55.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.1 p -145.68 152.98 40.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.072 -179.821 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.15 159.56 67.75 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.462 0.649 . . . . 0.0 111.131 -179.914 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -172.18 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.626 2.217 . . . . 0.0 112.283 179.917 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -103.3 -26.15 13.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.2 ptt180 -139.92 156.19 70.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.589 0.709 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 105.5 1.5 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 -179.982 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.593 ' HB ' HG22 ' A' ' 26' ' ' THR . 21.7 t -91.99 -21.17 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 -179.984 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 63.39 26.01 14.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.642 HG23 ' H ' ' A' ' 29' ' ' GLN . 4.3 t -97.59 160.67 14.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.981 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.98 -35.41 46.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.93 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 t -67.7 -43.4 80.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.859 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.642 ' H ' HG23 ' A' ' 26' ' ' THR . 2.6 tm0? -62.29 -51.25 68.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 -179.998 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 m -61.83 -39.79 84.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.888 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.46 -52.81 48.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 179.934 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.58 -35.62 92.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.89 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 128' ' ' LEU . 10.2 tt -69.02 -39.34 79.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.637 ' CD1' HD23 ' A' ' 184' ' ' LEU . 34.3 mt -65.14 -49.05 81.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.149 179.865 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.7 t -62.63 -39.83 95.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -62.3 -55.35 29.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.429 HG22 HD11 ' A' ' 41' ' ' ILE . 13.7 p -60.2 -33.48 53.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 179.896 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.464 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -62.18 -49.06 77.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.958 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -64.43 -41.96 96.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.67 ' HB3' HD11 ' A' ' 121' ' ' LEU . 1.2 tm-20 -61.04 -41.99 97.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.953 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.429 HD11 HG22 ' A' ' 37' ' ' VAL . 57.7 mt -64.26 -47.42 89.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 -179.952 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 38' ' ' LEU . 96.8 t -58.58 -42.23 84.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 179.86 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.69 -42.29 64.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -31.61 72.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.2 ttp85 -77.13 -51.15 11.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.5 pttp -67.36 -28.65 68.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -54.13 -39.3 66.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.809 179.981 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.7 mt -56.28 -28.73 59.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.4 m -96.55 27.28 3.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.827 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.48 32.3 20.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 59.02 44.93 95.92 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.552 179.964 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -98.94 116.45 31.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -59.34 -31.73 69.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -64.4 -41.74 96.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.71 -26.71 64.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.6 mtp -69.35 -46.41 67.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -99.57 29.52 4.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -87.63 -53.57 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.14 23.05 14.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.805 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -98.75 29.71 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.32 -32.72 6.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.2 -26.42 7.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.37 -35.14 64.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.19 179.848 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -54.61 -27.4 39.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -121.7 35.22 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -146.29 27.35 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.826 -180.0 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.14 133.11 52.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.889 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -90.66 -24.22 20.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.805 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.411 HD23 ' HE1' ' A' ' 99' ' ' TYR . 8.6 mp -65.43 160.66 57.5 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.671 0.748 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 129.82 18.29 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.667 2.245 . . . . 0.0 112.394 179.827 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -137.77 155.23 49.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 179.998 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.687 HD12 HG23 ' A' ' 182' ' ' VAL . 34.0 mt -104.31 129.19 57.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.203 179.966 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -87.93 -71.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -167.47 -42.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 69.33 -75.62 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.9 t70 58.04 58.16 3.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.909 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 173.07 -123.25 0.98 Allowed Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.436 -179.944 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 31.1 m 57.63 53.39 7.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.84 0.353 . . . . 0.0 110.824 -179.818 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -168.25 -48.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.805 -179.884 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.574 ' C ' HG23 ' A' ' 81' ' ' THR . 6.6 mt-30 -62.65 -27.26 69.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.574 HG23 ' C ' ' A' ' 80' ' ' GLN . 1.3 p 72.27 -54.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 -179.85 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 53.54 -135.42 41.57 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.954 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -138.27 -72.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.381 . . . . 0.0 110.9 -179.786 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -96.41 39.4 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.765 -179.898 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -173.95 -173.47 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.966 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 62.35 -176.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.8 mt 63.43 105.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 11.8 p -115.46 162.99 16.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 179.943 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.1 mp -91.46 170.18 10.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.011 179.927 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.44 124.42 49.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.96 64.18 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.812 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 57.6 mt -110.95 -23.96 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.7 p -71.06 -48.47 52.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.898 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.608 ' HA ' HD21 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -54.54 -48.4 72.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.845 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.17 -52.44 47.4 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.41 HD13 ' HE2' ' A' ' 179' ' ' PHE . 1.1 mp -58.21 -55.5 34.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.863 0.363 . . . . 0.0 110.943 -179.878 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.605 HD13 HD12 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -52.93 -47.68 67.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.88 179.872 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.433 ' N ' HD23 ' A' ' 97' ' ' LEU . 4.8 mt-10 -54.74 -51.52 65.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.411 ' HE1' HD23 ' A' ' 69' ' ' LEU . 22.9 m-85 -55.77 -47.0 77.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.959 -179.879 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -55.04 -48.07 73.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.809 179.94 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.1 p -62.92 -37.1 85.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.785 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.1 m-85 -62.14 -62.95 1.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.51 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.5 pp -55.68 -37.14 67.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.51 ' N ' HD12 ' A' ' 103' ' ' LEU . 18.2 mt-10 -63.2 -42.28 99.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.937 179.907 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -69.4 -37.1 77.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.878 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.2 ttp -75.22 -28.39 59.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.81 179.934 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -67.45 -28.17 67.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -59.88 -33.59 72.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -132.33 97.09 4.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 179.917 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.503 HD22 ' HB3' ' A' ' 114' ' ' LYS . 6.1 mt -148.81 178.03 9.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -176.05 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 179.811 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.09 -51.14 63.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.865 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -75.92 -42.83 47.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.503 ' HB3' HD22 ' A' ' 110' ' ' LEU . 23.1 mmtm -55.88 -42.82 76.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.941 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -67.89 -48.04 67.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -50.05 61.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.838 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -72.71 -36.85 67.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.94 -45.52 74.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.002 179.912 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -55.52 -50.05 71.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.889 -179.859 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 78.1 t -60.39 -41.89 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.67 HD11 ' HB3' ' A' ' 40' ' ' GLU . 0.3 OUTLIER -58.25 -46.08 86.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.992 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -64.71 -40.66 95.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.06 -55.0 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.807 -179.938 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -37.82 86.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.594 HG22 HD12 ' A' ' 129' ' ' ILE . 86.4 m -59.88 -44.53 94.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 -179.914 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.94 -37.88 82.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.406 HG22 HD11 ' A' ' 131' ' ' ILE . 23.0 m -64.21 -56.56 13.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 -179.842 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.537 ' HB3' HD22 ' A' ' 33' ' ' LEU . 2.4 pp -61.53 -38.23 86.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.594 HD12 HG22 ' A' ' 125' ' ' THR . 22.3 mt -65.81 -36.41 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 179.773 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -41.45 74.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 128' ' ' LEU . 6.7 mt -64.91 -52.41 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.954 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.83 -50.27 72.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -57.94 -39.73 78.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.888 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -63.12 -51.63 65.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.76 -51.96 65.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.876 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.2 p -65.96 -28.06 42.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -39.54 78.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.21 -40.78 51.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.758 -179.945 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.02 -57.87 3.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.861 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.17 -169.71 1.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.767 179.898 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.02 -176.5 3.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.465 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.34 146.42 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.869 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.465 ' N ' HD13 ' A' ' 142' ' ' ILE . 28.4 m -130.38 130.89 65.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 179.763 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.608 HD21 ' HA ' ' A' ' 94' ' ' SER . 0.2 OUTLIER -175.8 86.64 0.29 Allowed Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.576 0.703 . . . . 0.0 110.969 -179.934 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.79 -48.82 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.661 2.241 . . . . 0.0 112.281 179.952 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 178.58 148.04 0.38 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.64 0.733 . . . . 0.0 111.117 -179.932 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.605 ' HD3' HD11 ' A' ' 97' ' ' LEU . 53.4 Cg_endo -69.76 175.34 8.24 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.641 2.227 . . . . 0.0 112.352 179.894 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.24 -35.17 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.001 179.953 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.6 m -51.64 -35.59 42.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . 0.482 ' O ' HG23 ' A' ' 154' ' ' THR . 8.7 p-10 -51.5 -51.02 58.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.75 -34.24 74.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.795 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 47.7 mt -63.58 -58.78 5.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.55 -50.46 71.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 150' ' ' ASN . 60.4 p -59.18 -35.61 73.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.217 179.945 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -70.97 -28.08 64.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 179.896 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -78.1 -74.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.17 173.15 9.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.943 179.859 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -176.17 37.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.893 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.1 t -172.5 -60.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.782 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.48 178.38 8.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.39 142.29 20.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.39 167.36 20.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 3.5 p-90 -57.12 -28.71 62.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.81 -27.13 68.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -37.16 84.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.882 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.32 -26.51 12.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.907 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -69.43 -70.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 179.868 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 99.9 m -48.64 -45.57 38.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.219 -179.992 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.39 -47.02 95.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -61.67 -32.96 73.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 179.967 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -55.16 11.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.785 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.9 pt -60.8 -35.95 67.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.52 -51.74 53.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 179.853 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -58.3 -46.89 85.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.793 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 2.6 t -60.03 -45.45 92.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.584 HD11 HD11 ' A' ' 180' ' ' LEU . 10.0 tp -57.63 -54.99 40.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -53.44 -57.07 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.9 -50.15 69.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.41 ' HE2' HD13 ' A' ' 96' ' ' LEU . 25.3 t80 -55.13 -41.7 72.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.584 HD11 HD11 ' A' ' 176' ' ' LEU . 48.6 mt -63.58 -40.54 97.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -66.02 -53.54 37.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.778 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.687 HG23 HD12 ' A' ' 72' ' ' ILE . 27.0 m -60.09 -34.16 55.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.046 179.941 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 89.7 m -73.11 -37.25 66.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.637 HD23 ' CD1' ' A' ' 34' ' ' ILE . 3.0 tm? -69.99 -36.84 75.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.897 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -80.64 -31.41 36.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.792 -179.954 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . 0.648 ' HA ' HG23 ' A' ' 190' ' ' THR . 10.9 m -74.92 -49.98 18.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.791 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 14.9 t -52.04 -29.63 21.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.104 -179.901 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -54.84 -75.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -149.47 18.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.648 HG23 ' HA ' ' A' ' 186' ' ' SER . 8.1 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.128 -179.916 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.845 0.355 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -116.24 71.64 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.98 179.933 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 p -109.22 146.35 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -78.65 127.15 31.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -128.77 -179.69 5.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.06 47.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -135.98 94.71 3.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.804 0.335 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.81 165.92 15.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.9 t -115.18 -32.43 5.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 43.85 -163.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -154.19 73.36 0.92 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 p 52.99 -174.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.159 -179.901 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.6 159.64 33.48 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.621 0.724 . . . . 0.0 111.042 -179.954 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 -171.11 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.577 2.185 . . . . 0.0 112.392 179.866 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -77.11 -37.29 54.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -125.35 155.37 71.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.561 0.696 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 84.08 0.67 Allowed 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.715 2.277 . . . . 0.0 112.295 -179.989 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.613 HG12 HG23 ' A' ' 26' ' ' THR . 21.4 t -66.55 -13.84 16.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.888 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 63.53 27.75 15.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 179.987 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.613 HG23 HG12 ' A' ' 24' ' ' VAL . 12.8 p -83.53 177.01 8.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.141 -179.943 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.12 -33.58 74.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -43.58 78.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -50.5 71.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.611 ' CG1' HG21 ' A' ' 131' ' ' ILE . 23.4 m -62.33 -39.34 83.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.65 -52.87 48.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.437 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.12 -36.06 92.49 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 -179.924 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.582 HD21 ' N ' ' A' ' 128' ' ' LEU . 6.8 tp -66.9 -39.25 87.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.753 0.311 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.471 HG21 ' HG ' ' A' ' 184' ' ' LEU . 39.9 mt -66.99 -52.95 38.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.878 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -57.81 -40.48 80.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 -179.98 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -64.53 -54.85 25.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.828 179.985 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.438 HG23 ' CB ' ' A' ' 124' ' ' ASP . 0.3 OUTLIER -58.99 -31.34 45.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.102 179.993 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.669 ' O ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -66.97 -48.82 67.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.981 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.0 t90 -63.08 -40.85 98.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -49.56 74.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.534 ' HA ' HD21 ' A' ' 121' ' ' LEU . 37.9 mt -58.56 -44.14 88.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.079 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 38' ' ' LEU . 88.5 t -60.31 -47.22 93.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.845 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -66.76 -43.52 83.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.47 ' SD ' HD22 ' A' ' 121' ' ' LEU . 9.5 ttt -65.81 -32.04 73.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.468 ' HA ' HD23 ' A' ' 173' ' ' LEU . 6.0 ttt180 -72.13 -50.81 25.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -69.95 -28.98 66.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -53.87 -33.5 56.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.975 179.926 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.465 HD23 ' HE3' ' A' ' 114' ' ' LYS . 28.0 mt -56.42 -36.3 68.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.17 29.84 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 t30 61.79 38.77 14.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 53.75 42.74 68.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -100.75 114.72 28.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.1 m -55.68 -26.79 46.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 -179.836 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.56 -29.35 66.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.802 179.999 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.65 -26.28 37.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 -179.891 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.5 mmm -74.07 -31.08 62.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -118.74 27.82 8.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.945 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -81.82 -65.85 0.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.671 ' OD1' HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -107.09 40.09 1.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.837 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -95.92 26.24 4.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.04 -43.89 1.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.671 HD21 ' OD1' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -91.65 -34.02 14.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.975 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.83 -31.91 29.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.152 179.743 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -55.95 -34.05 65.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -106.01 25.51 10.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -151.12 24.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.743 HD22 HD12 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -103.34 -55.84 2.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 179.944 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.65 21.59 8.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.817 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.743 HD12 HD22 ' A' ' 67' ' ' LEU . 20.3 mt -84.1 159.37 59.85 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 83.53 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.756 2.304 . . . . 0.0 112.348 179.848 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -112.66 160.94 17.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.565 HD11 HG13 ' A' ' 182' ' ' VAL . 12.8 pt -119.75 150.23 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -130.45 42.95 3.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.871 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.12 158.21 23.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -130.57 -42.13 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.09 -31.83 11.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.87 -68.04 0.25 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 99.1 m -142.95 137.79 29.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.778 0.323 . . . . 0.0 110.985 -179.919 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -125.65 130.0 50.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.865 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.17 133.71 56.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.51 -56.92 0.84 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.064 -179.868 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -130.51 -176.77 14.55 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -61.65 -31.38 71.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.83 0.348 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -164.4 135.16 4.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -174.06 149.94 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -114.81 93.86 4.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.1 tt -117.03 -30.3 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 179.953 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 47.5 m -65.63 143.7 57.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.836 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.26 94.85 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 mp -125.32 148.35 48.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -101.84 -73.81 0.64 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.859 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.0 mt 71.16 -68.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.872 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.69 -50.04 55.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.9 t -54.91 -52.7 62.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.06 -50.56 66.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 -179.949 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.4 mp -52.37 -45.98 65.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.553 HD22 HD12 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -61.43 -49.24 77.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.913 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -56.11 -56.34 21.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.472 ' HB3' HD22 ' A' ' 176' ' ' LEU . 27.2 m-85 -54.05 -44.91 71.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.847 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -55.02 -50.25 69.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.7 m -62.04 -34.39 76.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.838 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.761 ' HB3' HD12 ' A' ' 172' ' ' ILE . 22.2 m-85 -63.98 -64.41 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.1 pp -53.12 -39.83 63.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.572 ' N ' HD12 ' A' ' 103' ' ' LEU . 3.2 tm-20 -66.39 -36.63 83.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 179.982 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.69 ' CE2' HD22 ' A' ' 153' ' ' LEU . 27.6 t80 -65.48 -52.09 55.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.813 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.427 ' HE1' HD11 ' A' ' 110' ' ' LEU . 3.5 ppp? -69.81 -27.26 64.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.856 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -66.73 -32.42 73.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -59.66 -28.69 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -136.73 96.91 3.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.667 HD22 ' CB ' ' A' ' 114' ' ' LYS . 5.5 mt -148.53 169.67 19.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -63.76 -176.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.823 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -63.66 -51.36 65.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 179.941 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -72.73 -47.19 49.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.667 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.4 mmtm -55.69 -34.83 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -67.52 -46.16 73.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -59.85 -45.26 92.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.856 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -72.35 -34.38 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 179.916 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.9 -35.63 80.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.778 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -64.9 -50.64 65.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.9 p -64.96 -37.15 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.886 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.534 HD21 ' HA ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER -63.98 -47.58 79.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.871 179.976 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.522 ' HA ' HD13 ' A' ' 103' ' ' LEU . 1.8 tt0 -62.52 -50.51 71.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -54.25 -53.21 56.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.438 ' CB ' HG23 ' A' ' 37' ' ' VAL . 56.1 m-20 -57.74 -41.43 81.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.612 HG22 HD12 ' A' ' 129' ' ' ILE . 89.2 m -60.06 -43.77 95.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 -179.902 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -67.87 -33.29 74.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.407 HG22 HD11 ' A' ' 131' ' ' ILE . 28.0 m -67.86 -56.74 7.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 -179.931 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.582 ' N ' HD21 ' A' ' 33' ' ' LEU . 3.0 pp -61.32 -39.58 91.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.612 HD12 HG22 ' A' ' 125' ' ' THR . 45.5 mt -67.13 -37.79 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -67.66 -40.46 84.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.611 HG21 ' CG1' ' A' ' 30' ' ' VAL . 8.0 mt -66.05 -52.39 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -62.6 -50.03 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.43 -39.93 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -63.09 -50.83 69.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -56.32 -52.18 65.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.4 p -65.69 -28.77 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 180.0 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -69.09 -39.63 78.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.97 -38.79 57.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.809 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.95 -57.94 3.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.882 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -122.37 -169.88 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -99.31 178.88 4.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.481 HD13 ' N ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER -175.6 146.22 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.145 179.9 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.481 ' N ' HD13 ' A' ' 142' ' ' ILE . 12.1 m -130.54 119.1 45.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.553 HD12 HD22 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -175.91 87.23 0.29 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.93 179.924 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 -48.59 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.713 2.275 . . . . 0.0 112.359 179.82 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 179.4 147.45 0.42 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.685 0.755 . . . . 0.0 111.135 -179.937 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -176.95 1.66 Allowed 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.573 2.182 . . . . 0.0 112.388 179.904 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.8 tt -118.09 -15.02 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.949 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 12.7 m -51.07 -31.17 17.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . 0.431 ' O ' HG23 ' A' ' 154' ' ' THR . 0.8 OUTLIER -51.93 -50.86 60.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.988 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.14 90.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.061 179.91 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.91 -64.98 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.69 HD22 ' CE2' ' A' ' 105' ' ' TYR . 8.5 mt -52.74 -52.79 54.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 150' ' ' ASN . 67.5 p -56.44 -32.89 65.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.169 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -71.39 -41.95 69.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.789 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -95.84 103.9 15.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 2.3 tp -118.34 -54.98 2.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.3 -75.4 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 65.7 m 56.77 35.91 26.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.737 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -154.34 98.99 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 57.88 63.34 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -144.89 116.94 8.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -134.4 29.59 3.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 1.8 mt -107.28 25.6 11.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.97 -26.85 33.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.68 -26.64 5.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 -179.932 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -69.56 -68.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 179.924 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 97.0 m -48.37 -45.83 36.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 -179.988 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.2 mm -61.96 -48.28 89.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -62.24 -29.37 70.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.05 -55.27 8.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.761 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.5 pt -59.4 -36.79 66.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.072 -179.966 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 45' ' ' ARG . 1.1 tp -67.35 -53.41 29.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp -54.76 -46.57 74.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.437 ' OG ' HD13 ' A' ' 69' ' ' LEU . 6.3 p -61.34 -50.66 72.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.991 0.424 . . . . 0.0 110.9 -179.882 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.472 HD22 ' HB3' ' A' ' 99' ' ' TYR . 10.1 tp -52.49 -50.65 62.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.943 179.935 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.616 ' CD ' HG22 ' A' ' 42' ' ' VAL . 8.8 tt0 -57.47 -56.84 16.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.39 -29.86 62.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.428 ' HA ' HG12 ' A' ' 182' ' ' VAL . 8.2 t80 -74.88 -35.35 62.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.874 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 177' ' ' GLU . 5.4 mt -70.44 -46.87 63.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -46.43 76.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.957 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.565 HG13 HD11 ' A' ' 72' ' ' ILE . 9.2 p -64.36 -33.99 66.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.136 179.829 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 17.3 m -72.36 -40.99 66.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.478 ' C ' HD13 ' A' ' 184' ' ' LEU . 2.5 tm? -66.98 -40.7 87.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.69 -32.66 60.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.839 179.928 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 28.0 t -67.7 -51.17 52.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.74 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.3 t -55.7 -25.18 38.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.073 -179.972 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -69.21 -38.13 78.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 -179.958 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 41.33 84.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.841 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.225 179.979 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 27.7 m . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -110.56 97.06 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 p -72.33 133.36 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.82 144.0 49.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.819 -179.87 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -143.51 176.37 9.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.62 27.82 18.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 -179.971 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -118.56 92.41 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -126.74 177.38 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.0 t -126.38 -37.7 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 -179.883 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -141.32 -170.5 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -169.14 35.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.9 p -135.43 161.5 35.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.852 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.15 159.58 68.23 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.58 0.705 . . . . 0.0 111.204 179.995 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -171.2 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.721 2.281 . . . . 0.0 112.341 -179.993 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -95.91 -25.65 15.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.23 156.9 73.53 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.718 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 107.05 1.78 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.688 2.259 . . . . 0.0 112.335 -179.944 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.56 ' HB ' HG22 ' A' ' 26' ' ' THR . 21.7 t -94.22 -21.57 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.074 179.975 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 63.46 21.57 12.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.56 HG22 ' HB ' ' A' ' 24' ' ' VAL . 10.0 t -98.21 166.01 11.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.207 179.972 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.25 -34.02 30.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -67.73 -42.26 82.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.808 -179.839 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -50.99 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.0 m -61.87 -39.84 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.02 -52.94 46.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 179.978 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.32 -36.34 93.28 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.515 -179.936 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.678 HD22 ' HB2' ' A' ' 128' ' ' LEU . 10.0 tt -69.54 -36.38 76.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.527 ' O ' HD13 ' A' ' 38' ' ' LEU . 48.7 mt -67.05 -46.58 84.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.852 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.7 t -67.12 -39.18 86.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 179.971 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -63.54 -55.64 22.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 33' ' ' LEU . 10.9 p -60.73 -36.16 69.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.589 HD11 ' CB ' ' A' ' 180' ' ' LEU . 1.7 mp -60.56 -49.09 78.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -64.1 -42.9 96.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 179.841 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.664 ' HB3' HD11 ' A' ' 121' ' ' LEU . 1.3 tm-20 -60.32 -42.83 96.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.462 HD11 HG22 ' A' ' 37' ' ' VAL . 57.6 mt -63.41 -46.84 94.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 38' ' ' LEU . 90.4 t -58.8 -43.18 87.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.172 179.836 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.48 -42.54 67.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.794 -179.964 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.9 ttt -65.74 -31.71 72.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.817 -179.967 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.718 ' HB2' HD23 ' A' ' 173' ' ' LEU . 0.8 OUTLIER -75.67 -51.18 13.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.857 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -28.77 67.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -55.76 -35.39 66.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.921 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.3 mt -54.88 -30.14 57.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.36 32.82 2.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.908 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 57.8 30.13 18.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.5 45.94 95.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.417 179.915 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -90.08 109.16 20.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 m -52.64 -41.16 63.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.803 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.9 -37.93 89.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.4 t -59.04 -26.24 64.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 -179.929 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 40.6 mtp -66.78 -51.77 51.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -97.07 25.95 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -84.17 -52.87 5.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.491 ' OD1' HD21 ' A' ' 62' ' ' LEU . 1.1 t70 -102.83 31.29 4.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.86 25.95 4.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.46 -35.87 3.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 179.911 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.491 HD21 ' OD1' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -102.66 -26.89 13.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.955 179.97 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.5 -32.67 58.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.829 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -55.3 -26.58 41.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.05 25.91 10.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.812 -179.892 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -139.81 25.82 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.2 mt -104.31 -66.83 0.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 58.67 21.93 9.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.872 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 mp -83.97 160.85 57.09 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.528 0.68 . . . . 0.0 110.945 179.889 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 79.51 0.95 Allowed 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.621 2.214 . . . . 0.0 112.338 179.858 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -111.72 161.04 16.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.4 mt -72.5 143.94 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.061 -179.972 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -156.84 32.46 0.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.95 -178.68 5.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.818 -179.885 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -141.44 -177.73 5.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.0 -76.02 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.51 -148.98 23.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.489 -179.951 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 33.4 m -90.6 -45.19 9.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.899 0.38 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.6 t80 72.17 -69.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.843 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -175.56 57.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 57.48 -177.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 -179.961 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -163.4 -87.73 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.401 -179.996 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -143.03 -55.06 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.923 -179.771 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.92 -37.97 19.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 63.19 44.21 5.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -125.77 43.55 3.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.1 pt -143.32 44.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.103 179.957 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 68.2 m -129.55 83.23 2.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.34 174.18 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.2 mt -102.27 77.21 1.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.856 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.98 174.68 5.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.792 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.0 mt 71.08 -69.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.0 p -53.04 -50.28 64.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.813 -179.937 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 m -58.7 -52.43 65.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.35 -44.32 95.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.946 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.6 mp -59.62 -45.12 92.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.348 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.591 HD13 HD22 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -60.9 -49.09 78.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.919 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -56.8 -55.28 36.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -54.0 -46.15 71.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.955 -179.829 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -55.48 -49.24 73.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 65.5 m -62.24 -35.44 78.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 -179.863 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.681 ' HB3' HD12 ' A' ' 172' ' ' ILE . 11.6 m-85 -63.59 -63.47 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.906 -179.854 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.6 pp -55.67 -37.19 67.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.515 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.0 OUTLIER -65.89 -38.97 90.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.918 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.769 ' CE1' HG22 ' A' ' 154' ' ' THR . 5.7 t80 -67.12 -52.09 45.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.836 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.567 ' CE ' HD11 ' A' ' 110' ' ' LEU . 4.5 ppp? -67.21 -28.21 67.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.08 -33.74 71.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -62.96 -35.27 79.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.881 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -121.35 93.96 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.931 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.687 HD22 ' HB3' ' A' ' 114' ' ' LYS . 8.4 mt -149.14 170.24 18.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -68.85 -176.32 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.941 179.853 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.95 -51.19 67.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.801 179.915 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -76.02 -43.14 45.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.876 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.687 ' HB3' HD22 ' A' ' 110' ' ' LEU . 21.9 mmtm -55.8 -39.55 71.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 179.842 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -68.3 -46.8 69.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.013 179.747 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.17 -47.55 75.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 179.834 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -38.59 65.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.95 -47.0 75.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.794 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -55.48 -50.2 70.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.44 -40.45 81.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.201 179.951 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.664 HD11 ' HB3' ' A' ' 40' ' ' GLU . 0.5 OUTLIER -60.05 -48.61 81.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.96 179.905 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.1 -36.27 83.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.974 179.887 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -62.45 -54.38 40.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.13 -38.6 86.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.849 179.914 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.492 HG22 HD12 ' A' ' 129' ' ' ILE . 44.5 m -61.18 -49.7 76.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.249 -179.94 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -59.6 -46.92 87.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.507 HG22 HD11 ' A' ' 131' ' ' ILE . 88.4 m -58.08 -55.51 34.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.892 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.779 ' HA ' HD12 ' A' ' 131' ' ' ILE . 0.1 OUTLIER -57.97 -52.24 66.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.961 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.632 ' N ' HD23 ' A' ' 128' ' ' LEU . 61.8 mt -54.15 -35.2 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.161 179.807 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -71.25 -39.15 71.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.874 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.779 HD12 ' HA ' ' A' ' 128' ' ' LEU . 9.4 mt -63.73 -52.35 58.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -64.83 -50.09 68.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -56.65 -40.68 75.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -65.46 -50.54 64.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.447 ' O ' HD13 ' A' ' 139' ' ' LEU . 12.4 tt0 -54.67 -52.12 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.08 -30.63 50.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.078 -179.965 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 40.4 tttt -63.67 -45.16 91.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -79.23 -30.47 43.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.842 179.836 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 135' ' ' GLU . 1.8 mp -63.78 -52.21 61.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -134.97 -75.23 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.831 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.31 -169.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.412 HD12 ' H ' ' A' ' 143' ' ' VAL . 7.0 tp -174.14 145.09 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 179.923 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.412 ' H ' HD12 ' A' ' 142' ' ' ILE . 6.5 m -148.2 161.39 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.079 179.897 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.591 HD22 HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -179.09 137.5 0.32 Allowed Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.542 0.687 . . . . 0.0 110.911 -179.958 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 -86.25 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.71 2.273 . . . . 0.0 112.364 179.842 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 178.93 147.31 0.39 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.624 0.726 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 135.27 30.1 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.686 2.258 . . . . 0.0 112.352 179.902 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 4.6 pt -118.74 -30.26 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.09 -41.67 62.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.813 -179.894 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -51.74 -49.8 61.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -52.21 -52.88 49.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.854 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 10.7 mp -54.81 -49.98 69.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.583 HD23 ' CE2' ' A' ' 105' ' ' TYR . 0.4 OUTLIER -52.84 -63.05 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.891 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.769 HG22 ' CE1' ' A' ' 105' ' ' TYR . 43.1 p -51.38 -37.25 47.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.896 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -62.57 -38.83 91.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.09 -72.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.488 HD11 ' HG2' ' A' ' 165' ' ' ARG . 0.4 OUTLIER -174.08 173.57 3.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.901 179.909 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.89 165.36 11.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.97 179.877 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 66.4 m 55.56 36.07 26.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.808 -179.888 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 58.7 -175.61 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 4.2 tttt 61.76 172.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.937 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -150.96 52.0 0.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -141.72 152.08 43.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 59.59 77.92 0.29 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.96 -179.946 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . 0.488 ' HG2' HD11 ' A' ' 157' ' ' LEU . 0.0 OUTLIER -74.7 -25.9 59.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.987 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.75 -26.38 5.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -179.895 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.67 -69.03 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.852 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 96.4 m -48.46 -45.92 37.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 37.8 mm -61.47 -50.94 78.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -61.81 -28.11 69.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -70.65 -55.34 8.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.681 HD12 ' HB3' ' A' ' 102' ' ' TYR . 19.3 pt -61.27 -36.4 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.068 -179.967 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.718 HD23 ' HB2' ' A' ' 45' ' ' ARG . 0.9 OUTLIER -67.29 -52.46 40.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.917 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -56.01 -50.26 71.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.839 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.35 -43.4 96.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 -179.82 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 8.5 tp -55.88 -57.78 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.43 -55.77 25.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -52.95 -45.48 67.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.857 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -56.49 -47.21 79.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.589 ' CB ' HD11 ' A' ' 38' ' ' LEU . 73.2 mt -61.53 -38.57 87.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -61.65 -60.18 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.831 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 6.6 p -56.5 -38.48 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.898 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 78.9 m -59.61 -51.0 71.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.072 -179.932 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.476 HD22 HD13 ' A' ' 34' ' ' ILE . 6.6 tp -63.97 -36.53 84.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -68.44 -32.18 72.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 11.5 t -74.43 -52.08 13.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 6.1 t -55.65 -28.6 56.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -69.71 -33.96 73.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.964 179.951 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 41.45 85.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 10.0 p . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 -179.927 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.867 0.365 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -156.29 101.2 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.3 t -80.61 145.9 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.35 136.22 38.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.974 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.03 -179.94 3.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.72 56.62 0.47 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.533 -179.945 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.01 -179.99 7.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.812 0.339 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.3 t80 63.26 160.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 t -124.4 -35.93 2.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 -179.875 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 63.22 162.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -172.26 88.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.1 t -135.2 155.69 50.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 -179.849 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.84 159.61 60.08 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.606 0.717 . . . . 0.0 111.157 179.982 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 177.31 5.7 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.666 2.244 . . . . 0.0 112.334 179.969 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -155.18 47.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 61.31 160.42 0.11 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.573 0.701 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 88.13 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.664 2.243 . . . . 0.0 112.382 179.955 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.5 t -88.75 -16.49 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 61.08 23.04 13.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 -179.901 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -103.84 170.82 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 -179.96 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.64 -36.06 44.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.097 -179.983 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 m -68.46 -43.13 77.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -50.66 70.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.1 m -61.53 -40.65 87.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.669 ' O ' HG23 ' A' ' 35' ' ' THR . . . -61.24 -53.08 47.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.999 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.87 -39.14 97.64 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.498 -179.919 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.629 HD22 HD23 ' A' ' 128' ' ' LEU . 7.8 tt -64.94 -44.72 88.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 110.943 -179.92 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.508 ' CD1' HD23 ' A' ' 184' ' ' LEU . 62.7 mt -61.26 -42.74 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.669 HG23 ' O ' ' A' ' 31' ' ' GLY . 46.4 p -63.97 -46.43 84.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -58.6 -55.48 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.712 HG22 ' CD1' ' A' ' 41' ' ' ILE . 14.7 p -59.88 -35.02 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 -179.967 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 34' ' ' ILE . 1.3 mp -60.28 -48.97 79.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -65.19 -42.6 93.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.875 179.891 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.27 -40.71 98.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.712 ' CD1' HG22 ' A' ' 37' ' ' VAL . 36.9 mt -64.06 -46.83 92.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.958 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.449 HG12 ' HD3' ' A' ' 46' ' ' LYS . 83.1 t -60.49 -45.98 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 179.828 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -42.19 79.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.8 ttt -66.64 -31.81 72.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 179.909 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -74.71 -50.49 17.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.826 -179.854 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.449 ' HD3' HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -69.57 -28.8 66.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.959 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.99 -35.27 61.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 -179.952 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.513 HD12 ' HE3' ' A' ' 114' ' ' LYS . 9.8 mp -58.6 -31.23 67.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.6 m -95.98 32.28 1.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.1 t30 58.27 26.63 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.985 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.7 37.86 85.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 179.901 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -90.73 109.59 20.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.82 -179.819 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.0 t -56.76 -28.15 60.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -68.52 -33.21 73.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.826 -179.99 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.81 -27.05 69.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.907 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.8 mtp -64.34 -49.19 72.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -110.38 32.13 5.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.824 -179.989 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -71.56 -52.23 19.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.632 ' OD2' HD11 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -121.31 26.33 8.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.845 179.984 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -74.06 -26.55 60.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 179.999 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.95 -26.31 35.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.632 HD11 ' OD2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -117.87 -38.77 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.957 -179.976 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.95 -28.45 67.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.094 179.739 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.68 -29.79 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -123.28 31.94 5.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -135.34 26.24 3.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.08 133.09 48.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -26.19 23.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 179.76 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.525 HD23 ' HE1' ' A' ' 99' ' ' TYR . 8.9 mp -64.02 160.69 45.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.634 0.73 . . . . 0.0 110.973 179.841 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.71 139.05 39.45 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.399 179.83 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.79 138.96 23.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.684 HD12 HG23 ' A' ' 182' ' ' VAL . 58.5 mt -91.4 119.09 38.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.964 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -116.97 -42.91 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 179.882 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.85 170.12 8.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -154.47 42.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.804 179.975 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -74.78 -51.74 13.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.846 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.3 164.98 29.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.546 -179.988 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.1 m -58.52 -29.47 66.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.9 t80 72.29 -69.15 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -93.1 174.47 7.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.958 179.957 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.1 m 63.65 94.96 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 -179.921 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 165.7 88.29 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.559 179.956 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -116.49 -72.79 0.67 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.974 0.416 . . . . 0.0 110.95 -179.795 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -73.04 -31.58 64.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.947 179.934 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.71 168.49 15.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -72.08 -51.82 19.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.445 HG22 ' SG ' ' A' ' 88' ' ' CYS . 21.5 mt 66.14 145.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.045 179.942 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.445 ' SG ' HG22 ' A' ' 87' ' ' ILE . 29.0 m 61.12 92.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mt -109.68 170.29 8.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -116.14 164.81 13.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.978 179.821 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.88 97.23 11.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.829 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.466 HG23 ' CE2' ' A' ' 179' ' ' PHE . 65.9 mt -119.3 -35.4 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.156 179.909 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -50.11 75.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.9 p -54.15 -52.04 62.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.72 -50.91 62.36 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.574 179.953 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.32 -54.0 46.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.48 HD13 HD13 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -54.72 -49.14 71.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.911 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -54.11 -49.88 68.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.525 ' HE1' HD23 ' A' ' 69' ' ' LEU . 22.9 m-85 -56.55 -49.12 75.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.795 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -54.18 -49.25 69.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.3 m -61.86 -36.67 81.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.761 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.788 ' HB3' HD12 ' A' ' 172' ' ' ILE . 12.9 m-85 -62.85 -64.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 -179.915 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.555 HD13 ' HA ' ' A' ' 122' ' ' GLN . 2.4 pp -54.01 -38.23 64.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.515 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.2 mt-10 -68.17 -33.74 75.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.727 ' CE1' HG22 ' A' ' 154' ' ' THR . 12.7 t80 -69.21 -52.09 31.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.959 -179.897 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.461 ' HE1' HD11 ' A' ' 110' ' ' LEU . 3.6 ppp? -67.93 -31.54 71.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.889 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.97 -28.42 69.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.824 179.99 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -60.2 -40.13 89.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.946 179.924 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -129.18 99.16 5.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.684 HD22 ' CB ' ' A' ' 114' ' ' LYS . 6.2 mt -145.42 177.91 8.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -78.28 -175.84 4.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.855 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -51.5 67.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.809 179.949 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -71.72 -48.61 45.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.862 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.684 ' CB ' HD22 ' A' ' 110' ' ' LEU . 21.7 mmtm -55.49 -32.88 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.916 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -67.18 -50.51 60.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.881 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -57.84 -43.15 85.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.5 mmpp? -70.4 -36.58 74.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.951 179.885 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.92 82.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -49.77 75.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 4.5 p -69.72 -31.61 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 -179.991 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -52.55 35.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.555 ' HA ' HD13 ' A' ' 103' ' ' LEU . 1.1 pp0? -66.18 -33.78 76.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 18.2 mtp85 -66.6 -53.09 38.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.619 ' O ' HD21 ' A' ' 33' ' ' LEU . 27.0 m-20 -58.16 -54.54 45.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.89 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.1 m -56.72 -44.69 81.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 -179.905 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -53.94 -53.64 50.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.949 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.565 HG22 HD11 ' A' ' 131' ' ' ILE . 98.5 m -60.91 -36.4 79.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 -179.964 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.629 HD23 HD22 ' A' ' 33' ' ' LEU . 1.1 tm? -64.29 -51.99 60.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 30.4 mt -59.54 -37.21 69.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -65.42 -45.49 83.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.88 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.565 HD11 HG22 ' A' ' 127' ' ' THR . 19.0 mt -62.55 -53.07 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.943 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -58.62 -49.98 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -57.7 -41.56 81.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -66.3 -36.73 83.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 179.957 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.58 -52.05 43.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.97 -35.71 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.08 -179.982 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -68.94 -40.26 79.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -78.34 -26.01 46.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 179.944 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.0 tp -77.69 -50.51 12.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -135.06 -74.78 0.46 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.804 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -179.06 -176.18 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.4 tp -166.76 141.61 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 13.8 m -140.39 158.45 25.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.842 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.48 HD13 HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -178.89 137.38 0.33 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.508 0.67 . . . . 0.0 111.001 -179.979 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.61 -85.64 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.72 2.28 . . . . 0.0 112.421 179.814 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 179.53 147.62 0.43 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.718 . . . . 0.0 111.146 -179.97 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.88 132.39 23.05 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 179.946 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 16.8 tt -116.45 -23.95 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.941 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.05 -38.77 58.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -51.37 -47.02 62.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.721 -179.908 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.69 -55.1 36.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 179.935 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.7 mp -51.76 -51.36 56.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.613 HD11 HG21 ' A' ' 168' ' ' THR . 3.9 mm? -53.57 -64.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 179.903 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.727 HG22 ' CE1' ' A' ' 105' ' ' TYR . 73.2 p -51.7 -32.9 31.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.042 -179.989 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -55.34 -32.47 62.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.15 107.09 15.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.85 109.84 1.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -156.07 -58.98 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 14.6 p -122.51 159.42 27.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.846 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -134.61 94.75 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.826 -179.859 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -144.44 31.84 1.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 18.8 pm0 44.79 -167.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.781 179.987 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 61.48 35.21 17.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.39 -62.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . 0.437 ' O ' HD13 ' A' ' 169' ' ' ILE . 10.7 mtp180 -71.76 -26.72 62.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 1.8 m -50.61 -27.6 7.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.187 -179.895 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -69.61 -69.39 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . 0.613 HG21 HD11 ' A' ' 153' ' ' LEU . 97.3 m -49.25 -34.25 14.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.889 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.499 HG21 HD21 ' A' ' 48' ' ' LEU . 1.6 mp -68.09 -52.37 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . 0.408 ' N ' HG22 ' A' ' 169' ' ' ILE . 4.2 pt20 -65.0 -25.23 67.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -54.11 9.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.788 HD12 ' HB3' ' A' ' 102' ' ' TYR . 18.6 pt -63.65 -36.52 76.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.433 HD12 HG23 ' A' ' 41' ' ' ILE . 3.1 mm? -67.8 -53.79 24.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 179.866 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -56.64 -46.15 81.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.942 179.82 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 35.8 m -61.75 -46.74 88.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 10.5 tp -55.17 -54.6 41.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -55.77 -55.59 30.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -52.83 -46.54 67.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.466 ' CE2' HG23 ' A' ' 92' ' ' ILE . 37.8 t80 -61.8 -40.75 96.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.891 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.448 ' HB3' HD11 ' A' ' 38' ' ' LEU . 24.6 mt -62.45 -38.32 89.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 12.5 mtpp -68.96 -57.38 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.863 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . 0.684 HG23 HD12 ' A' ' 72' ' ' ILE . 27.4 m -54.73 -36.11 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.846 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.578 ' O ' HG22 ' A' ' 187' ' ' THR . 93.0 m -69.41 -56.94 6.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 -179.92 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.508 HD23 ' CD1' ' A' ' 34' ' ' ILE . 2.7 tm? -52.37 -37.11 55.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.952 179.973 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -76.5 -53.94 7.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.877 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 9.6 t -52.78 -52.06 58.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 183' ' ' THR . 14.6 t -62.25 -24.82 67.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 -179.928 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 25.8 mtp85 -83.65 149.86 26.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.81 -179.903 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -179.32 101.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.058 -179.824 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.807 0.337 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -94.18 89.4 5.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.7 p -56.82 147.68 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.24 117.53 30.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -114.07 179.92 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.885 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.11 51.96 0.8 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.549 -179.933 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -112.74 165.01 12.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.828 0.347 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.5 -171.0 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.4 t -119.44 -31.02 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 -179.874 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -129.15 152.39 48.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -176.74 49.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.0 p -76.24 157.91 32.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 -179.867 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -137.99 159.51 68.21 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.537 0.684 . . . . 0.0 111.185 -179.892 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -171.49 0.47 Allowed 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 179.936 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -97.79 26.28 5.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -120.27 73.74 21.11 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.545 0.688 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 125.67 12.43 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.698 2.265 . . . . 0.0 112.286 -179.983 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.2 m -103.92 -13.86 8.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 63.49 42.72 6.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.912 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.0 p -101.23 164.75 11.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.195 -179.968 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.2 p -51.79 -46.42 64.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -51.49 56.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 -179.777 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -40.62 92.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.94 -54.11 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 179.949 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.2 -52.24 50.74 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.494 179.922 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.77 -40.39 94.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.509 -179.894 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.728 HD21 ' HB3' ' A' ' 128' ' ' LEU . 0.0 OUTLIER -66.72 -37.36 84.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.793 0.33 . . . . 0.0 110.932 -179.938 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.671 HG21 ' CD2' ' A' ' 184' ' ' LEU . 15.0 mm -63.99 -52.28 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.167 179.878 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.8 t -62.21 -39.65 93.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -66.4 -55.6 15.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.434 HG22 HD11 ' A' ' 41' ' ' ILE . 8.7 p -60.77 -32.42 51.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.997 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.618 ' O ' HG23 ' A' ' 42' ' ' VAL . 15.2 mt -66.81 -48.42 69.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -62.88 -42.3 99.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 179.852 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -60.96 -50.55 72.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.515 HG23 HD12 ' A' ' 173' ' ' LEU . 47.7 mt -57.32 -48.64 82.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.097 -179.975 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.629 HG12 ' HE3' ' A' ' 46' ' ' LYS . 95.8 t -55.07 -58.64 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.055 179.913 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -53.28 -40.07 64.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.458 ' O ' HD13 ' A' ' 48' ' ' LEU . 2.7 ttp -67.19 -32.19 73.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.1 ttp85 -71.01 -51.21 26.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.876 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.629 ' HE3' HG12 ' A' ' 42' ' ' VAL . 5.9 ptpt -71.01 -28.71 64.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.99 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -54.94 -40.94 70.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.916 HD23 HG22 ' A' ' 166' ' ' THR . 8.7 mp -53.85 -28.44 35.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.987 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 91.8 m -98.94 34.94 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.15 27.66 16.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.99 37.1 73.64 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -95.84 104.54 16.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.83 0.348 . . . . 0.0 110.955 -179.933 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 p -56.4 -26.77 54.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.853 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -65.31 -33.75 76.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 -179.969 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.89 -28.94 66.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.3 mmm -72.92 -31.48 64.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -110.48 26.39 10.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -102.31 -50.94 3.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -104.52 30.21 5.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 179.903 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.02 28.03 3.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.38 -32.41 4.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.82 -26.03 10.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.01 -30.34 64.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.783 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -55.91 -25.84 44.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -111.1 26.97 10.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -136.5 25.36 3.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.95 179.931 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.673 HD11 ' HE2' ' A' ' 174' ' ' LYS . 2.0 mt -120.95 -71.45 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.0 179.888 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 58.23 23.43 10.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.797 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.71 160.39 66.92 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.67 0.748 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 100.48 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.262 . . . . 0.0 112.363 179.83 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -147.6 147.99 30.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.468 HG23 HD11 ' A' ' 90' ' ' LEU . 2.6 mp -57.82 139.34 17.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.976 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -107.96 -70.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.92 -65.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.815 -179.923 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 56.29 90.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -86.3 143.31 27.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.05 95.94 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.932 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.17 -45.13 7.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.33 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -108.43 -30.21 8.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 -179.873 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.37 168.8 2.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.845 -179.974 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.3 m 62.91 86.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 -179.93 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -96.92 85.02 0.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.504 179.917 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -156.26 -58.78 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.0 0.429 . . . . 0.0 110.969 -179.823 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -93.43 -36.49 12.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 54.6 81.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -95.26 -29.35 14.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 24.9 mt 65.45 151.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 77.7 m -67.67 -60.2 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.877 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 61.3 93.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.958 179.986 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.468 HD11 HG23 ' A' ' 72' ' ' ILE . 4.3 mm? -111.3 154.03 25.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -94.29 -73.14 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.993 179.76 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.2 mt 71.05 -68.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 63.5 p -50.34 -39.25 45.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.962 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.7 m -53.88 -52.47 60.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.83 -44.73 95.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -180.0 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.498 HD22 HG12 ' A' ' 129' ' ' ILE . 55.4 mt -51.83 -54.18 31.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -49.41 77.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -52.99 -51.54 61.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.418 ' CD2' HD13 ' A' ' 176' ' ' LEU . 22.2 m-85 -60.21 -43.15 96.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.823 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -53.78 -50.38 66.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.796 179.959 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.6 p -66.14 -38.83 89.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.749 -179.683 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.476 ' HB3' HD12 ' A' ' 172' ' ' ILE . 9.2 m-85 -57.41 -64.01 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.831 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 104' ' ' GLU . 2.2 pp -55.77 -45.44 78.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.518 ' N ' HD12 ' A' ' 103' ' ' LEU . 3.0 mm-40 -56.53 -33.58 66.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.624 ' CE2' HD23 ' A' ' 153' ' ' LEU . 2.3 t80 -72.89 -52.32 15.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.915 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.4 ptm -62.92 -29.43 70.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.746 ' HZ2' ' HB1' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -50.42 -52.75 34.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 179.885 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.47 -19.31 46.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -124.86 78.99 1.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.794 HD22 ' HB3' ' A' ' 114' ' ' LYS . 11.2 mt -149.82 163.21 38.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -77.34 -177.06 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 179.905 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -51.2 69.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.779 179.974 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -69.59 -48.75 59.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.794 ' HB3' HD22 ' A' ' 110' ' ' LEU . 10.0 mmtm -55.92 -42.99 76.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -58.62 -48.08 82.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.845 179.881 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -50.27 73.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.924 179.824 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -63.5 -43.86 96.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.746 ' HB1' ' HZ2' ' A' ' 107' ' ' LYS . . . -54.88 -44.49 74.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 179.856 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -52.99 -49.46 66.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.56 -40.78 89.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.989 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.513 HD11 ' N ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER -62.75 -50.08 72.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.994 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.484 ' HB2' HD13 ' A' ' 103' ' ' LEU . 2.3 tm0? -57.87 -51.15 70.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.975 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -53.54 -53.61 49.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -57.32 -44.41 84.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.403 ' HA ' HD23 ' A' ' 128' ' ' LEU . 24.6 m -61.41 -45.92 92.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.885 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -60.79 -35.89 77.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.952 179.963 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.438 ' O ' HD12 ' A' ' 131' ' ' ILE . 61.4 m -67.81 -56.73 8.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.178 -179.941 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.728 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -58.21 -34.17 70.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 179.989 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.498 HG12 HD22 ' A' ' 96' ' ' LEU . 50.2 mt -71.57 -41.32 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.17 179.928 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -62.17 -44.27 96.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.801 179.838 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 127' ' ' THR . 5.8 mt -67.27 -53.47 32.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.177 179.986 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.576 ' O ' HG23 ' A' ' 136' ' ' VAL . 5.1 m-85 -59.2 -50.1 75.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -60.84 -38.1 84.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -59.7 -55.16 37.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -62.1 -52.19 64.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 132' ' ' PHE . 86.3 t -55.35 -44.12 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 -179.989 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -63.27 -40.96 98.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 179.867 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -67.41 -28.68 68.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.797 179.891 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -4.76 42.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 11.3 t60 67.43 37.16 3.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.798 179.865 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -138.5 64.59 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.03 143.84 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 28.9 m -123.33 170.04 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.483 HD12 ' OG1' ' A' ' 146' ' ' THR . 0.1 OUTLIER -128.13 91.61 44.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.607 0.718 . . . . 0.0 110.936 179.989 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -44.52 2.03 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.684 2.256 . . . . 0.0 112.327 179.896 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.483 ' OG1' HD12 ' A' ' 144' ' ' LEU . 1.1 m 65.69 81.81 0.21 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.599 0.714 . . . . 0.0 111.052 179.99 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 152.89 69.39 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.831 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 21.0 tt -119.28 -12.21 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 179.921 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.15 -47.41 45.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -52.83 -45.01 67.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.44 -48.67 76.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.098 179.843 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.82 -47.86 81.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.624 HD23 ' CE2' ' A' ' 105' ' ' TYR . 1.2 mp -56.87 -63.36 1.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -32.0 51.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.074 179.904 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.74 -40.35 54.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -179.19 -48.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 179.912 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 157' ' ' LEU . . . . . 0.558 HD22 ' HG ' ' A' ' 153' ' ' LEU . 22.5 tp 62.48 162.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -53.21 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 14.5 m 51.1 31.03 6.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.83 103.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.881 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.6 mttp 63.03 162.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 51.89 86.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 8.4 m-90 62.17 102.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -71.0 170.78 12.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -51.73 -40.58 60.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 -179.976 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . 0.916 HG22 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -53.78 -26.53 24.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 -179.977 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -69.46 -69.58 0.33 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 179.882 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 168' ' ' THR . . . . . . . . . . . . . 89.3 m -49.03 -44.37 41.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 -179.987 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.53 -45.59 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -63.45 -31.23 72.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -70.81 -55.49 8.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.903 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.476 HD12 ' HB3' ' A' ' 102' ' ' TYR . 13.4 pt -58.68 -39.1 75.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.515 HD12 HG23 ' A' ' 41' ' ' ILE . 3.5 mm? -66.87 -48.9 67.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.926 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.673 ' HE2' HD11 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -56.36 -47.39 78.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 179.846 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.73 -43.36 99.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.418 HD13 ' CD2' ' A' ' 99' ' ' TYR . 23.6 tp -56.07 -50.02 72.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.482 ' CD ' HG22 ' A' ' 42' ' ' VAL . 1.6 tt0 -61.09 -56.84 16.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.966 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -47.51 67.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -55.98 -49.48 73.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 3.0 mp -54.78 -52.46 62.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -52.74 -54.12 38.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.812 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 66.4 t -60.42 -39.02 79.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 92.7 m -58.14 -43.47 87.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.671 ' CD2' HG21 ' A' ' 34' ' ' ILE . 2.3 tp -69.29 -54.52 14.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.907 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 185' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -20.72 59.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 4.2 m -82.21 -47.95 11.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 184' ' ' LEU . 9.8 t -66.4 -26.69 67.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.15 -179.921 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -69.79 -36.57 75.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 41.45 84.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.253 -179.903 . . . . . . . . 1 1 . 1 stop_ save_